Institute of Fundamental Technological Research

Hou J., Xu D., Jankowski Ł., Structural modal parameter identification with the Power-Exponential window function, MECHANICAL SYSTEMS AND SIGNAL PROCESSING, ISSN: 0888-3270, DOI: 10.1016/j.ymssp.2024.111771, Vol.222, pp.111771-1-111771-23, 2025

Abstract:
In view of the demand for accurate modal identification, and based on the characteristics of free vibration response, this paper introduces a new window function for Fourier Transform called the Power–Exponential window. The Power–Exponential window addresses the characteristics of free vibration response. It significantly enhances the accuracy of modal identification by improving the spectral properties of structural response. The proposed window function consists of exponential and power terms. This study focuses on the additional damping and frequency-domain differentiation introduced by the Power–Exponential window function. The exponential term weakens the boundary effect related to the time-domain truncation and suppresses the spectral leakage. Moreover, it can be interpreted in clear physical terms as providing additional damping to the signal. The power term in the window function corresponds to frequency domain differentiation, and it alleviates the spectral broadening that arises due to the additional damping. Furthermore, the analytical expression for the response spectrum confirms that the Power–Exponential window not only aligns the peak response frequency with the damped natural frequency but also establishes an explicit linear relationship between the actual structural damping ratio and the identification result from the half power bandwidth method. Both contribute to an improved accuracy and usability of certain frequency-domain modal identification methods. The influence of the Power–Exponential window parameters on modal parameter identification is analyzed, and the optimal selection principle and suggested parameter values are proposed. Finally, numerical simulations and an experimental frame model test are conducted to verify the accuracy and validity of modal parameter identification based on the Power–Exponential window.

Keywords:
Modal identification, Window function, Frequency domain, Spectrum leakage, Fourier Transform (FT)

Liu S., Wu J., He S., Yuan X., Stupkiewicz S., Wang Y., Effect of substrate stiffness on interfacial Schallamach wave of flexible film/substrate bilayer structure: Cohesive contact insight, TRIBOLOGY INTERNATIONAL, ISSN: 0301-679X, DOI: 10.1016/j.triboint.2024.110358, Vol.202, pp.110358-1-14, 2025

Abstract:
As the critical feature of the stick-slip for soft materials, the interfacial Schallamach waves of flexible composite structures are essential for smart tactile sensors to realize sliding perception. Herein, the Schallamach waves of polydimethylsiloxane film/substrate bilayer structures with three substrate stiffnesses regulated by porosities are investigated by setting up in-situ sliding tests and establishing finite element models with mixed-mode cohesive contact. Inhomogeneity in microcontact stiffness disrupts the continuity and synchronization of the Schallamach waves, resulting in non-periodic fluctuations in the contact force. The buckling phenomenon of the film structure marks the transition from stick to slip. This buckling induces a shift at the crack front from normal compressive stress to tensile stress, leading to mixed-mode damage.

Keywords:
Stick-slip,Polydimethylsiloxane film/substrate bilayer structures,Schallamach wave,In-situ sliding test,Mixed-mode cohesive contact model

Dumbill R., Rabcuka J., Fallon J., Knight S., Hunter J., Voyce D., Barrett Jacob T., Ellen M., Weissenbacher A., Kurniawan T., Błoński S., Korczyk P.M., Ploeg Rutger J., Coussios C., Friend P., Świętach P., Impaired O2 unloading from stored blood results in diffusion-limited O2 release at tissues: evidence from human kidneys, Blood, ISSN: 0006-4971, DOI: 10.1182/blood.2023022385, Vol.143, No.8, pp.721-733, 2024

Abstract:
The volume of oxygen drawn from systemic capillaries down a partial pressure gradient is determined by the oxygen content of red blood cells (RBCs) and their oxygen-unloading kinetics, although the latter is assumed to be rapid and, therefore, not a meaningful factor. Under this paradigm, oxygen transfer to tissues is perfusion-limited. Consequently, clinical treatments to optimize oxygen delivery aim at improving blood flow and arterial oxygen content, rather than RBC oxygen-handling. Whilst the oxygen-carrying capacity of blood is increased with transfusion, previous studies have shown that stored blood undergoes kinetic attrition of oxygen release, which may compromise overall oxygen delivery to tissues, i.e. transport became diffusion-limited. We sought evidence for diffusion-limited oxygen release in viable human kidneys normothermically perfused with stored blood. In a cohort of kidneys that went on to be transplanted, ex-vivo renal respiration correlated inversely with the time-constant of oxygen-unloading from RBCs used for perfusion. Furthermore, the renal respiratory rate did not correlate with arterial O2 delivery unless this factored the rate of oxygen-release from RBCs, as expected from diffusion-limited transport. In kidneys deemed unsuitable for transplantation, perfusion was alternated between stored and rejuvenated RBCs of the same donation to control oxygen-unloading without intervening ischemia and holding all non-RBC parameters constant. Rejuvenated oxygen-unloading kinetics reversibly improved the kidney's oxygen diffusion capacity and increased cortical oxygen partial pressure by 60%. Thus, oxygen delivery to tissues can become diffusion-limited during perfusion with stored blood, which has implications in scenarios such as ex-vivo organ perfusion, major hemorrhage, and pediatric transfusion.

Będkowski J., End to end navigation stack for nuclear power plant inspection with mobile robot, SoftwareX, ISSN: 2352-7110, DOI: 10.1016/j.softx.2024.101750, Vol.26, pp.101750-1-101750-11, 2024

Abstract:
This paper describes a novel approach for nuclear facility inspection with novel automated 3D mapping system as an open source end to end navigation stack available at https://github.com/JanuszBedkowski/msas_enrich_2023. Incidents such as Fukushima, Majak or Chernobyl as well as the decommissioning and dismantling of old nuclear facilities (e.g. Sellafield, Asse or Murmansk) are showing great importance of the robotic technology. Rapid inspection requires reliable, accurate, precise and repeatable simultaneous localization and mapping. Proposed SLAM approach uses only non repetitive scanning pattern Lidar (Livox Mid360) and integrated inertial measurement unit. The novelty is based on feature less single core SLAM implementation. It fuses Normal Distributions Transform and motion model for simultaneous map building and current pose estimation. Motion model bounds an optimization result, thus it is stable and reliable. It requires less than 10 ms for pose update, trajectory tracking and emergency behavior. This method is a candidate for real time application since a calculation time is bounded and it uses only one core of Intel Celeron CPU G1840 2.8 GHz. It was tested both (i) during EnRicH 2023 https://enrich.european-robotics.eu/ — the European robotics hackathon, (ii) in laboratory conditions. This open source project provides also software of base station, thus it is first end to end solution available in literature.

Keywords:
Navigation, Inspection, Mobile robot, SLAM, Localization

Tauzowski P., Błachowski B.D., Zawidzka E., Zawidzki M., MorphoGen: Topology optimization software for Extremely Modular Systems, SoftwareX, ISSN: 2352-7110, DOI: 10.1016/j.softx.2024.101797, Vol.27, pp.1-10, 2024

Abstract:
This paper introduces MorphoGen — an integrated reliability-based topology optimization and nonlinear finite element analysis system for 2D and 3D domains. The system’s key innovation is its seamless prototyping of scientific formulations for computational problems in topology optimization. Its layered and object-oriented architecture, based on the template method design pattern, facilitates effortless modifications of algorithms and the introduction of new types of finite elements, materials, and analyses. MorphoGen also offers flexible handling of objective functions and constraints during topological optimization, enhancing its adaptability. It empowers researchers and practitioners to explore a wide range of engineering challenges, fostering a deeper understanding of complex structural behaviors and efficient design solutions. There are many topology optimization software and open source codes, especially based on the classical SIMP method. Unlike these codes our package is freely distributed among users and since it is distributed on the MIT licence, which allows for its easy modification depending on the particular needs of the users. For this purpose, we use the topology optimization algorithm proposed for the first time in our previous paper (Blachowski et al., 2020). The algorithm is based on a fully stress design-based optimality criteria and can be applied for topology optimization of either linearly elastic and elastoplastic structures. Additionally, the novelty of the proposed system is related to its ability of solving optimal topology under various constraints such as displacement, stresses and fatigue in both deterministic and probabilistic cases. Another application are modular structures, which reduce design complexity and manufacturing costs as well as rapid reconfiguration. However, in the realm of structural optimization, modular systems are more challenging due to various: modes of operation of the modules and the stresses configurations. Moreover, this area of research is dramatically less explored. Thus the effectiveness of MorphoGen for structural engineering is demonstrated with examples of topological shape optimization of two Extremely Modular Systems: a planar robotic manipulator Arm-Z and spatial free-form ramp Truss-Z.

Keywords:
Stress Constrained Topology Optimizatio,Extremely Modular System,Object-oriented software architecture,MATLAB-based array programming,First Order Reliability Analysis

Yap M., Bill C., Byra M., Ting-yu L., Huahu Y., Galdran A., Yung-Han C., Raphael B., Sven K., Friedrich C., Yu-wen L., Ching-hui Y., Kang L., Qicheng L., Ballester M., Carneiro G., Yi-Jen J., Juinn-Dar H., Pappachan J., Reeves N., Vishnu C., Darren D., Diabetic foot ulcers segmentation challenge report: Benchmark and analysis, Medical Image Analysis, ISSN: 1361-8415, DOI: 10.1016/j.media.2024.103153, Vol.94, No.103153, pp.1-14, 2024

Abstract:
Monitoring the healing progress of diabetic foot ulcers is a challenging process. Accurate segmentation of foot ulcers can help podiatrists to quantitatively measure the size of wound regions to assist prediction of healing status. The main challenge in this field is the lack of publicly available manual delineation, which can be time consuming and laborious. Recently, methods based on deep learning have shown excellent results in automatic segmentation of medical images, however, they require large-scale datasets for training, and there is limited consensus on which methods perform the best. The 2022 Diabetic Foot Ulcers segmentation challenge was held in conjunction with the 2022 International Conference on Medical Image Computing and Computer Assisted Intervention, which sought to address these issues and stimulate progress in this research domain. A training set of 2000 images exhibiting diabetic foot ulcers was released with corresponding segmentation ground truth masks. Of the 72 (approved) requests from 47 countries, 26 teams used this data to develop fully automated systems to predict the true segmentation masks on a test set of 2000 images, with the corresponding ground truth segmentation masks kept private. Predictions from participating teams were scored and ranked according to their average Dice similarity coefficient of the ground truth masks and prediction masks. The winning team achieved a Dice of 0.7287 for diabetic foot ulcer segmentation. This challenge has now entered a live leaderboard stage where it serves as a challenging benchmark for diabetic foot ulcer segmentation.

Keywords:
Deep learning, Diabetic foot ulcers, Segmentation, Convolutional neural networks

Karwat P., Piotrzkowska-Wróblewska H.E., Klimonda Z., Dobruch-Sobczak K., Litniewski J., Monitoring Breast Cancer Response to Neoadjuvant Chemotherapy Using Probability Maps Derived from Quantitative Ultrasound Parametric Images, Ieee Transactions on Biomedical Engineering, ISSN: 0018-9294, DOI: 10.1109/TBME.2024.3383920, Vol.71, No.9, pp.2620-2629, 2024

Abstract:
Objective: Neoadjuvant chemotherapy (NAC) is widely used in the treatment of breast cancer. However, to date, there are no fully reliable, non-invasive methods for monitoring NAC. In this article, we propose a new method for classifying NAC-responsive and unresponsive tumors using quantitative ultrasound. Methods: The study used ultrasound data collected from breast tumors treated with NAC. The proposed method is based on the hypothesis that areas that characterize the effect of therapy particularly well can be found. For this purpose, parametric images of texture features calculated from tumor images were converted into NAC response probability maps, and areas with a probability above 0.5 were used for classification. Results: The results obtained after the third cycle of NAC show that the classification of tumors using the traditional method (AUC = 0.81 - 0.88) can be significantly improved thanks to the proposed new approach (AUC = 0.84–0.94). This improvement is achieved over a wide range of cutoff values (0.2-0.7), and the probability maps obtained from different quantitative parameters correlate well. Conclusion: The results suggest that there are tumor areas that are particularly well suited to assessing response to NAC. Significance: The proposed approach to monitoring the effects of NAC not only leads to a better classification of responses, but also may contribute to a better understanding of the microstructure of neoplastic tumors observed in an ultrasound examination.

Keywords:
breast cancer,neoadjuvant chemotherapy,quantitative ultrasound,treatment monitoring.

Podulka P., Macek W., Zima B., Kopeć M., Ricardo B., Achtelik H., Fracture surface topography measurements analysis of low-alloyed corrosion resistant steel after bending-torsion fatigue tests, Precision Engineering, ISSN: 1873-2372, DOI: 10.1016/j.precisioneng.2024.07.002, pp.1-34, 2024

Abstract:
In this paper, an assessment of a topography measurement method for fracture surfaces of 10HNAP steel after bending-torsion fatigue tests was performed. Surface roughness was measured by using a non-contact Focus Variation Microscopy (FVM) technique in which the non-measured points (NMPs) and outliers (spikes) were removed by the application of general methods. The results revealed, that the optical measurement method introduced variations in the high-frequency errors, considered as noise within the selected bandwidth. Therefore, the minimization of the high-frequency noise (HFN) was proposed based on an extensive examination of ISO 25178 roughness parameters. Additionally, a general S-filter was applied, as recommended by international standards and commercial software. It was used to identify and remove noise from the measured data after pre-processing. Consequently, levelling and eliminating of NMPs and spikes was successfully performed. Subsequently, the results obtained by using various filters were compared to further assess the impact of different filtration bandwidths. Finally, the proposed procedure was validated by implementing different general functions, such as autocorrelation (ACF), power spectral densities (PSD), and texture direction (TD). It was concluded, that coupled characteristics, including profile and areal measurements, should be studied simultaneously since they are necessary to analyze the fracture surfaces comprehensively.

Keywords:
bending-torsion fatigue ,surface topography ,roughness ,non-measured points ,outliers ,high-frequency noise,measurement errors

Green R., Wang H., Botchey C., Zhang S. N. N., Wadsworth C., Tyrrell F., Letton J., McBain A. J., Paszek P., Krašovec R., Knight C. G., Collective peroxide detoxification determines microbial mutation rate plasticity in E. coli, PLOS Biology, ISSN: 1544-9173, DOI: 10.1371/journal.pbio.3002711, Vol.22, No.7, pp.e3002711-1-36, 2024

Abstract:
Mutagenesis is responsive to many environmental factors. Evolution therefore depends on the environment not only for selection but also in determining the variation available in a population. One such environmental dependency is the inverse relationship between mutation rates and population density in many microbial species. Here, we determine the mechanism responsible for this mutation rate plasticity. Using dynamical computational modelling and in culture mutation rate estimation, we show that the negative relationship between mutation rate and population density arises from the collective ability of microbial populations to control concentrations of hydrogen peroxide. We demonstrate a loss of this density-associated mutation rate plasticity (DAMP) when Escherichia coli populations are deficient in the degradation of hydrogen peroxide. We further show that the reduction in mutation rate in denser populations is restored in peroxide degradation-deficient cells by the presence of wild-type cells in a mixed population. Together, these model-guided experiments provide a mechanistic explanation for DAMP, applicable across all domains of life, and frames mutation rate as a dynamic trait shaped by microbial community composition.

Orłowska-Gałęzia A. M., Graczykowski C., Pawłowski P. K., Ruta R., Rimasauskas M., Kuncius T., Majewska K., Mieloszyk M., Characterization of thermal expansion in additively manufactured continuous carbon fibre reinforced polymer composites using fibre Bragg grating sensors, MEASUREMENT, ISSN: 0263-2241, DOI: 10.1016/j.measurement.2024.114147, Vol.227, pp.114147-1-114147-15, 2024

Abstract:
This study investigates thermal strains in fibre reinforced polymeric samples manufactured using a modified Fused Deposition Modelling (FDM) method. The investigated material was a composition of polylactic acid (PLA) resin and continuous carbon fibres. Each test sample was equipped with two Bragg grating (FBG) sensors, one embedded inside and the other bonded to the surface. Both sensors monitored temperature-induced deformations
during the conditioning of the specimens in a thermal chamber. Multiscale, analytical and finite element method based models were implemented to quantify the temperature deformations. Research has revealed that in investigated samples, bending occurs due to thermal loading. This can result in an inaccurate estimation of the coefficient of thermal expansion when relying on surface deformation measurements. A proposed solution involves the use of one FBG sensor embedded inside the specimen or two FBG sensors placed symmetrically, capable of measuring axial thermal deformation and averaging the effects associated
with bending.

Keywords:
Continuous Carbon Fibre Reinforced Polymer Composites, Fibre Bragg gratings, Thermal expansion , Additive manufacturing, Multiscale modelling

Jankowski Ł., Pisarski D., Konowrocki R., Popławski B., Faraj R., Efficient real-time positioning using Bayesian analysis and magnetic anomaly field, MEASUREMENT, ISSN: 0263-2241, DOI: 10.1016/j.measurement.2024.114738, Vol.233, pp.114738-1-114738-13, 2024

Abstract:
Despite the prevalence of well-established and explored navigation systems, alternative localization methods are currently the focus of intensive research. This interest is driven by geopolitical challenges and increasingly sophisticated applications of mobile robots and uncrewed aerial vehicles. This study investigates the problem of real-time positioning in GPS-denied environments. Based on the mapped magnetic anomaly field and using Bayesian formalism for data fusion, the localization obtained from embedded sensors is corrected to reduce cumulative errors. The proposed method has minimal computational cost and a minimal number of tunable parameters. The paper introduces it and demonstrates its effectiveness in a laboratory study. Experimental tests, using a system equipped with an Inertial Measurement Unit, demonstrated a significant reduction in localization uncertainty. The improvement was especially notable in areas with large, smooth variations in the magnetic field. Finally, the accuracy of the method is analyzed, and its performance is compared to a particle filter.

Keywords:
Sensor fusion, Bayesian inference, Real-time positioning, Magnetic anomaly, Intelligent navigation system

Kopeć M., Brodecki A., Kowalewski Z.L., Quantitative digital image correlation approach for the monitoring of fatigue damage development in 10CrMo9-10 steel in the as-received state and after extended service, MEASUREMENT, ISSN: 0263-2241, DOI: 10.1016/j.measurement.2024.114926, Vol.234, No.114926, pp.1-9, 2024

Abstract:
In this paper, the quantitative Digital Image Correlation (DIC) approach was used to study the long-time degradation of two different states of 10CrMo9-10 (10H2M) power engineering steel. The specimens subjected to cyclic loading (R = 0) were monitored by using the DIC technique. The data obtained from DIC measurements were presented in form of strain distributions for specified, independent points within the strain gauge of specimens. Furthermore, the strain profiles were extracted for the particular stages of fatigue damage development (FDD). The presented methodology provides a different approach of DIC application, in which, the data could be treated more quantitative than qualitative.

Keywords:
Power engineering steel, Fatigue, Damage

Ustrzycka A., Dominguez-Gutierrez F.J., Chromiński W., Atomistic analysis of the mechanisms underlying irradiation-hardening in Fe–Ni–Cr alloys, International Journal of Plasticity, ISSN: 0749-6419, DOI: 10.1016/j.ijplas.2024.104118, Vol.182, pp.104118-25, 2024

Abstract:
This work presents a comprehensive examination of the physical mechanisms driving hardening in irradiated face-centered cubic FeNiCr alloys. The evolution of irradiation-induced defects during shear deformation is modeled by atomistic simulations through overlapping cascade simulations, where the nucleation and evolution of dislocation loops is validated by transmission electron microscopy images obtained from irradiated FeNiCr alloys using tandem accelerator. The effect of different shear rates on the microstructure of irradiated materials with a specific focus on the changes in the density of voids and dislocation loops induced by irradiation was analyzed. Additionally, the fundamental interaction processes between single irradiation-induced defects contributing to irradiation hardening, such as voids and dislocation loops in the alloy are explained. The analysis at atomic level indicates that both the dislocation loops and the voids exhibit strengthening effects. Furthermore, the nanometric voids are much stronger obstacles than dislocation loops of comparable size. The mechanism of cutting the voids leads to an increase of voids density and thus contributes to an increase in irradiation hardening. The mechanism of collapse of small voids into dislocation loops leads to decrease of voids density and at the same time increase of loops density. The coupling effect between the density of voids and dislocation loops is determined. Finally, the novel, physical mechanisms-based model of irradiation hardening and dislocation-radiation defect reaction kinetics are developed, which consider the mechanisms of void cutting, void shrink and void collapse to dislocation loop.

Keywords:
Radiation-induced defects,Irradiation hardening,Collision cascades,MD simulations,Radiation defects evolution,Cr-rich alloys

Lisowski P., Jóźwiak-Niedźwiedzka D., Osial M., Bochenek K., Denis P., Glinicki M. A., Power ultrasound-assisted enhancement of granulated blast furnace slag reactivity in cement paste, CEMENT AND CONCRETE COMPOSITES, ISSN: 0958-9465, DOI: 10.1016/j.cemconcomp.2024.105781, Vol.154, No.105781, pp.1-19, 2024

Abstract:
This paper introduces a first-time investigation into the impact of power ultrasound (PUS)-assisted preparation on the physicochemical and mechanical properties of cement-granulated blast furnace slag (GBFS) composite pastes. Pastes containing deposited GFBS with varying particle size fractions, partially replacing Portland cement, were prepared using PUS (ultrasonic horn tip, 20 kHz, 700 W) in pulse mode in a vertical jacketed glass sonoreactor with closed-circuit cooling. Cement paste incorporating 20 wt.% GBFS as mass substitution with varying particle size fractions was characterized by several physicochemical techniques at different curing ages. Exploring the cement and GBFS interaction induced by PUS, the compressive and flexural strength, the elastic modulus and indentation hardness, the heat of hardening, the mineral composition of hydration products, and the specific surface area BET were evaluated for a curing time of up to 28 days. The grain size distribution of GFBS and the reaction mixture's pH were measured. Both mechanical properties, heat of hydration and nanoporosity exhibited strong sensitivity to PUS treatment. Sonofragmentation of GBFS particles (especially the 125–250 μm fraction) increased with increasing sonication time, resulting in a relative increase of fraction <63 μm and a decrease of fraction >125 μm by 275 % and 60 %, respectively. Using the obtained SEM-EDS data, a simplified mechanism is proposed to explain the effects induced by PUS treatment.

Keywords:
Power ultrasound treatment, Portland cement, Granulated blast furnace slag, Early strength development, C-S-H/C-A-S-H, Seeding effect

Dobrzański J., Stupkiewicz S., Towards a sharper phase-field method: A hybrid diffuse–semisharp approach for microstructure evolution problems, COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING, ISSN: 0045-7825, DOI: 10.1016/j.cma.2024.116841, Vol.423, pp.116841-1-23, 2024

Abstract:
A new approach is developed for computational modelling of microstructure evolution problems. The approach combines the phase-field method with the recently-developed laminated element technique (LET) which is a simple and efficient method to model weak discontinuities using non-conforming finite-element meshes. The essence of LET is in treating the elements that are cut by an interface as simple laminates of the two phases, and this idea is here extended to propagating interfaces so that the volume fraction of the phases and the lamination orientation vary accordingly. In the proposed LET-PF approach, the phase-field variable (order parameter), which is governed by an evolution equation of the Ginzburg–Landau type, plays the role of a level-set function that implicitly defines the position of the (sharp) interface. The mechanical equilibrium subproblem is then solved using the semisharp LET technique. Performance of LET-PF is illustrated by numerical examples. In particular, it is shown that, for the problems studied, LET-PF exhibits higher accuracy than the conventional phase-field method so that, for instance, qualitatively correct results can be obtained using a significantly coarser mesh, and thus at a lower computational cost.

Keywords:
Microstructure evolution,Interfaces,Laminate,Phase-field method,Finite element method

Darban H., Elastostatics of nonuniform miniaturized beams: Explicit solutions through a nonlocal transfer matrix formulation, International Journal of Engineering Science, ISSN: 0020-7225, DOI: 10.1016/j.ijengsci.2024.104054, Vol.198, No.104054, pp.1-18, 2024

Abstract:
A mathematically well-posed nonlocal model is formulated based on the variational approach and the transfer matrix method to investigate the size-dependent elastostatics of nonuniform miniaturized beams. The beams are composed of an arbitrary number of sub-beams with diverse material and geometrical properties, as well as small-scale size dependency. The model adopts a stress-driven nonlocal approach, a well-established framework in the Engineering Science community. The curvature of a sub-beam is defined through an integral convolution, considering the bending moments across all cross-sections of the sub-beam and a kernel function. The governing equations are solved and the deflections are derived in terms of some constants. The formulation uses local and interfacial transfer matrices, incorporating continuity conditions at cross-sections where sub-beams are joined, to define relations between constants in the solution of a generic sub-beam and those of the first sub-beam at the left end. The boundary conditions are then imposed to derive an explicit, closed-form solution for the deflection. The solution significantly simplifies the study of nonuniform beams with multiple sub-beams. The predictions of the model for two limiting cases, namely local nonuniform and nonlocal uniform beams, are in excellent agreement with the available literature data. The flexural behavior of nonuniform miniaturized beams, composed of two to five different sub-beams and subjected to different boundary conditions, is studied. The results are presented and discussed, emphasizing the effects of the material properties, nonlocalities, and lengths of the sub-beams on the deflection. It is demonstrated that the flexural response of nonlocal nonuniform beams is more complex than local counterparts. Unlike the local beams, dividing a nonlocal uniform beam into multiple sub-beams and then reconnecting them changes the overall stiffness of the beam. The study highlights the potential to design nonuniform miniaturized beams with specific configurations to control their flexural response effectively.

Keywords:
Small-scale beam,Transfer matrix method,Multi-material,Size effect,MEMS,NEMS

Bieniek K., Majewski M., Hołobut P., Kowalczyk-Gajewska K., Anisotropic effect of regular particle distribution in elastic–plastic composites: The modified tangent cluster model and numerical homogenization, International Journal of Engineering Science, ISSN: 0020-7225, DOI: 10.1016/j.ijengsci.2024.104118, Vol.203, pp.104118-1-104118-27, 2024

Abstract:
Estimation of macroscopic properties of heterogeneous materials has always posed significant problems. Procedures based on numerical homogenization, although very flexible, consume a lot of time and computing power. Thus, many attempts have been made to develop analytical models that could provide robust and computationally efficient tools for this purpose. The goal of this paper is to develop a reliable analytical approach to finding the effective elastic–plastic response of metal matrix composites (MMC) and porous metals (PM) with a predefined particle or void distribution, as well as to examine the anisotropy induced by regular inhomogeneity arrangements. The proposed framework is based on the idea of Molinari & El Mouden (1996) to improve classical mean-field models of thermoelastic media by taking into account the interactions between each pair of inhomogeneities within the material volume, known as a cluster model. Both elastic and elasto-plastic regimes are examined. A new extension of the original formulation, aimed to account for the non-linear plastic regime, is performed with the use of the modified tangent linearization of the metal matrix constitutive law. The model uses the second stress moment to track the accumulated plastic strain in the matrix. In the examples, arrangements of spherical inhomogeneities in three Bravais lattices of cubic symmetry (Regular Cubic, Body-Centered Cubic and Face-Centered Cubic) are considered for two basic material scenarios: “hard-in-soft” (MMC) and “soft-in-hard” (PM). As a means of verification, the results of micromechanical mean-field modeling are compared with those of numerical homogenization performed using the Finite Element Method (FEM). In the elastic regime, a comparison is also made with several other micromechanical models dedicated to periodic composites. Within both regimes, the results obtained by the cluster model are qualitatively and quantitatively consistent with FEM calculations, especially for volume fractions of inclusions up to 40%.

Keywords:
Periodic composite , Micro-mechanics , Effective properties, Elasto-plasticity, Particle interactions

Faghidian S., Darban H., Non-standard interface conditions in flexure of mixture unified gradient Nanobeams, International Journal of Engineering Science, ISSN: 0020-7225, DOI: 10.1016/j.ijengsci.2024.104127, Vol.204, pp.1-19, 2024

Abstract:
Structural schemes of applicative interests in Engineering Science frequently encounter the intricate phenomenon of discontinuity. The present study intends to address the discontinuity in the flexure of elastic nanobeam by adopting an abstract variational scheme. The mixture unified gradient theory of elasticity is invoked to realize the size-effects at the ultra-small scale. The consistent form of the interface conditions, stemming from the established stationary variational principle, is meticulously set forth. The boundary-value problem of equilibrium is properly closed and the analytical solution of the transverse displacement field of the elastic nanobeam is addressed. As an alternative approach, the eigenfunction expansion method is also utilized to scrutinize the efficacy of the presented variational formulation in tackling the flexure of elastic nanobeams with discontinuity. The flexural characteristic of mixture unified gradient beams with diverse kinematic constraints is numerically illustrated and thoroughly discussed. The anticipated nanoscopic features of the characteristic length-scale parameters are confirmed. The demonstrated numerical results can advantageously serve as a benchmark for the analysis and design of pioneering ultra-sensitive nano-sensors. The established variationally consistent size-dependent framework paves the way ahead in nanomechanics and inspires further research contributing to fracture mechanics of ultra-small scale elastic beams.

Shen Z., Sosa R., Bordas S., Tkatchenko A., Lengiewicz J. A., Quantum-informed simulations for mechanics of materials: DFTB+MBD framework, International Journal of Engineering Science, ISSN: 0020-7225, DOI: 10.1016/j.ijengsci.2024.104126, Vol.204, No.104126, pp.1-18, 2024

Abstract:
The macroscopic behaviors of materials are determined by interactions that occur at multiple lengths and time scales. Depending on the application, describing, predicting, and understanding these behaviors may require models that rely on insights from atomic and electronic scales. In such cases, classical simplified approximations at those scales are insufficient, and quantum-based modeling is required. In this paper, we study how quantum effects can modify the mechanical properties of systems relevant to materials engineering. We base our study on a high-fidelity modeling framework that combines two computationally efficient models rooted in quantum first principles: Density Functional Tight Binding (DFTB) and many-body dispersion (MBD). The MBD model is applied to accurately describe non-covalent van der Waals interactions. Through various benchmark applications, we demonstrate the capabilities of this framework and the limitations of simplified modeling. We provide an open-source repository containing all codes, datasets, and examples presented in this work. This repository serves as a practical toolkit that we hope will support the development of future research in effective large-scale and multiscale modeling with quantum-mechanical fidelity.

Keywords:
DFT, DFTB, Energy range separation, Many-body dispersion, van der Waals interaction, Carbon nanotube, UHMWPE

Kalita D., Mulewska K., Jóźwik I., Zaborowska A., Gawęda M., Chromiński W., Bochenek K., Rogal Ł., Metastable β-Phase Ti–Nb Alloys Fabricated by Powder Metallurgy: Effect of Nb on Superelasticity and Deformation Behavior, METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE, ISSN: 1073-5623, DOI: 10.1007/s11661-023-07285-5, pp.1-17, 2024

Abstract:
This study investigates the effect of Nb concentration on the mechanical properties, superelasticity, as well as deformation behavior of metastable β-phase Ti–Nb alloys produced via powder metallurgy. The alloys were fabricated through mechanical alloying, followed by consolidation using hot pressing. The resulting microstructure comprises fine β-phase grains with TiC carbide precipitates at the grain boundaries. The study reveals non-linear variations in the values of yield strength for the manufactured materials, which were attributed to the occurrence of various deformation mechanisms activated during the loading. It was found that the mechanisms change with the increasing concentration of Nb in the manner: stress-induced martensitic transformation, twinning, slip. However, all these mechanisms were activated at a reduced concentration of Nb compared to the materials obtained by casting technology previously reported in the literature. This is most probably associated with the elevated oxygen content, which affects the stability of the parent β-phase. The study revealed that superelasticity in Ti–Nb-based alloys prepared using powder metallurgy may be achieved by reducing the content of β-stabilizing elements compared to alloys obtained by conventional technologies. In this study, the Ti–14Nb (at. pct) alloy exhibited the best superelasticity, whereas conventionally fabricated Ti–Nb alloys displayed superelasticity at an Nb concentration of approximately 26 at. pct. The developed material exhibited a non-conventional, one-stage yielding behavior, resulting in a superelastic response at significantly higher stresses compared to conventionally fabricated Ti–Nb alloys.

Golasiński K., Maj M., Tasaki W., Pieczyska E.A., Kim H., Full-Field Deformation Study of Ti–25Nb, Ti–25Nb–0.3O and Ti–25Nb–0.7O Shape Memory Alloys During Tension Using Digital Image Correlation, METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE, ISSN: 1073-5623, DOI: 10.1007/s11661-024-07414-8, pp.1-10, 2024

Abstract:
A Ti–25Nb shape memory alloy (SMA) exhibits shape memory effect associated with stress-induced martensitic transformation from β to α″ phase. Addition of oxygen stabilizes the β phase and changes stress–strain response. Oxygen-added Ti–25Nb SMAs show a more distinct superelastic behavior. In this work, digital image correlation (DIC) was applied to investigate for the first time full-field deformation of Ti–25Nb, Ti–25Nb–0.3O and Ti–25Nb–0.7O (at. pct) SMAs. The specimens were subjected to loading–unloading tensile tests to study local and global mechanical characteristics related to activity of particular deformation mechanisms of the SMAs. Strain and strain rate fields were quantitatively compared at selected stages of each SMA’s deformation. It was found that the Ti–25Nb SMA exhibits a macroscopically localized Lüders-type deformation associated with the stress-induced phase transformation, whereas Ti–25Nb–0.3O and Ti–25Nb–0.7O SMAs show more discrete types of deformation related to activity of interstitial oxygen atoms. As a consequence, at particular stages of deformation, local values of strain rate of Ti–25Nb SMA were significantly higher than those of average strain rate. The results obtained in this paper provide a better understanding of the deformation mechanism in the oxygen-added Ti–25Nb based SMAs.

Sequeira A., Węglewski W., Bochenek K., Hutsch T., Jain A., Weissgaerber T., Basista M.A., Thermal Conductivity of AlSi12/Al2O3-Graded Composites Consolidated by Hot Pressing and Spark Plasma Sintering: Experimental Evaluation and Numerical Modeling, METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE, ISSN: 1073-5623, DOI: 10.1007/s11661-024-07506-5, pp.1-18, 2024

Abstract:
Functionally graded metal matrix composites have attracted the attention of various industries as materials with tailorable properties due to spatially varying composition of constituents. This research work was inspired by an application, such as automotive brake disks, which requires advanced materials with improved wear resistance on the outer surface as combined with effective heat flux dissipation of the graded system. To this end, graded AlSi12/Al2O3 composites (FGMs) with a stepwise gradient in the volume fraction of alumina reinforcement were produced by hot pressing and spark plasma sintering techniques. The thermal conductivities of the individual composite layers and the FGMs were evaluated experimentally and simulated numerically using 3D finite element (FE) models based on micro-computed X-ray tomography (micro-XCT) images of actual AlSi12/Al2O3 microstructures. The numerical models incorporated the effects of porosity of the fabricated AlSi12/Al2O3 composites, thermal resistance, and imperfect interfaces between the AlSi12 matrix and the alumina particles. The obtained experimental data and the results of the numerical models are in good agreement, the relative error being in the range of 4 to 6 pct for different compositions and FGMstructure. The predictive capability of the proposed micro-XCT-based FE model suggests that this model can be applied to similar types of composites and different composition gradients.

Jarząbek D. M., Włoczewski M., Milczarek M., Jenczyk P., Takesue N., Golasiński K., Pieczyska E. A., Deformation Mechanisms of (100) and (110) Single-Crystal BCC Gum Metal Studied by Nanoindentation and Micropillar Compression, METALLURGICAL AND MATERIALS TRANSACTIONS A-PHYSICAL METALLURGY AND MATERIALS SCIENCE, ISSN: 1073-5623, DOI: 10.1007/s11661-024-07605-3, pp.1-11, 2024

Abstract:
In this paper, small-scale testing techniques—nanoindentation and micropillar compression—were used to investigate the deformation mechanisms, size effects, and strain rate sensitivity of (100) and (110) single-crystal Gum Metal at the micro/nanoscale. It was observed that the (100) orientation exhibits a significant size effect, resulting in hardness values ranging from 1 to 5 GPa. Conversely, for the (110) orientation, this effect was weaker. Furthermore, the yield strength obtained from the micropillar compression tests was approximately 740 MPa for the (100) orientation and 650 MPa for the (110) orientation. The observed deformations were consistent with the established features of the deformation behavior of body-centered cubic (bcc) alloys: significant strain rate sensitivity with no depth dependence, pile-up patterns comparable to those reported in the literature, and shear along the {112}<111> slip directions. However, the investigated material also exhibited Gum Metal-like high ductility, a relatively low modulus of elasticity, and high yield strength, which distinguishes it from classic bcc alloys.

Gambin B.J., Kruglenko E., Tymkiewicz R., Litniewski J., Heating efficiency of agarose samples doped with magnetic nanoparticles subjected to ultrasonic and magnetic field, INTERNATIONAL JOURNAL OF HEAT AND MASS TRANSFER, ISSN: 0017-9310, DOI: 10.1016/j.ijheatmasstransfer.2024.125467, Vol.226, No.125467, pp.1-10, 2024

Abstract:
Recently, magneto-ultrasound heating of tissue in the presence of magnetic nanoparticles (NPs) has been studied due to its high potential for use in oncological hyperthermia. It has been published that a synergistic effect, generation of additional heat caused by magneto-ultrasonic coupling, was observed in a tissue-mimicking material (TMM) enriched with magnetic NPs. The specific absorption rate (SAR) was determined from the temperature rise measurements in a focus of the ultrasound beam. It is important to use precise measurement methods when considering medical applications, for which there are limitations to the power of each field, resulting from the prevention of biological phenomena dangerous to the patient. This study demonstrates that in magneto-ultrasonic heating SAR can be measured much more accurately if the ultrasonic field is almost uniform. Measurements were performed on TMM containing Fe3O4 NPs with a diameter of approximately 8 nm and superparamagnetic properties. Both, the measurement and simulation results showed that the errors resulting from the inaccuracy of placing the temperature probe are smaller than in the case of the focused ultrasound. At the same time, the temperature increase caused by the ultrasonic field is almost linear and the influence of heat convection on the SAR determination is negligible. The measurements showed that magneto-ultrasonic hyperthermia can provide the desired thermal effect at lower ultrasound powers and magnetic fields compared to ultrasonic or magnetic hyperthermia used alone. No synergy effect was recorded.

Keywords:
Magnetic nanoparticle-mediated hyperthermia,Dual-mode ultrasonic-magnetic hyperthermia,Specific absorption rate,Hyperthermia efficiency

Marszałek A., Burczyński T., Modeling of limit order book data with ordered fuzzy numbers, APPLIED SOFT COMPUTING, ISSN: 1568-4946, DOI: 10.1016/j.asoc.2024.111555, Vol.158, pp.1-20, 2024

Abstract:
This paper presents a novel approach to representing the Limit Order Book data at a given timestamp using the Ordered Fuzzy Numbers concept. The limit order book contains all buy and sell orders placed by investors, updated in real-time, for the most liquid securities, even several hundred times a minute. Due to its irregular nature (different and dynamic changes in the number of buy and sell orders), direct calculations on the order book data are not feasible without transforming it into feature vectors. Currently, most studies use a price level-based data representation scheme when applying deep learning models on limit order book data. However, this scheme has limitations, particularly its sensitivity to subtle perturbations that can negatively impact model performance. On the other hand, the ordered fuzzy number is a mathematical object (a pair of two functions) used to process imprecise and uncertain data. Ordered Fuzzy Numbers possess well-defined arithmetic properties. Converting the limit order book data to ordered fuzzy numbers allows the creation of a time series of ordered fuzzy numbers (order books) and use them for further calculations, e.g., to represent input data for deep learning models or employing the concept of fuzzy time series in various domains, such as defining liquidity measures based on limit order book data. In this paper, the proposed approach is tested using one-year market data from the Polish Stock Exchange for the five biggest companies. The DeepLOB model is employed to predict mid-price movement using different input data representations. The proposed representation of Limit Order Book data demonstrated remarkably stable out-of-sample prediction accuracy, even when subjected to data perturbation.

Keywords:
Limit order book, Ordered fuzzy number, High-frequency forecasting, Mid-price, Data perturbation

Pisarski D., Jankowski Ł., Decentralized modular semi-active controller for suppression of vibrations and energy harvesting, JOURNAL OF SOUND AND VIBRATION, ISSN: 0022-460X, DOI: 10.1016/j.jsv.2024.118339, Vol.577, pp.118339-1-118339-20, 2024

Abstract:
The study investigates the problem of decentralized semi-active control of free vibration. The control scheme is designed for implementation in a modular controller architecture, where a collection of subcontrollers is employed, with each subcontroller being associated with a subsystem that represents a component of the vibrating structure. Each subcontroller uses state feedback from adjacent subsystem sensors to perform vibration suppression and energy harvesting using a switching control law. Furthermore, the assumption is made that neighbouring subcontrollers exchange information collaboratively to estimate the effects of coupling forces, achieving control efficiency comparable to that of a centralized approach. The effectiveness of the proposed approach is demonstrated on a modular suspension platform equipped with semi-active dampers and electromagnetic energy harvesters. The approach is evaluated under various free vibration scenarios, encompassing faulty measurement conditions, and is compared to passive and heuristic state-feedback control strategies. The results confirm that the proposed method attains a superior control performance, independent of the degree of decentralization in the adopted controller architecture, rendering it a viable solution for addressing large-scale semi-active control problems.

Keywords:
Vibration control,Energy harvesting,Adaptive control,Semi-active control,Decentralized controller

Kosik-Kozioł A., Nakielski P., Rybak D., Frączek W., Rinoldi C., Lanzi M., Grodzik M., Pierini F., Adhesive Antibacterial Moisturizing Nanostructured Skin Patch for Sustainable Development of Atopic Dermatitis Treatment in Humans, ACS Applied Materials and Interfaces, ISSN: 1944-8244, DOI: 10.1021/acsami.4c06662, Vol.16, No.25, pp.32128-32146, 2024

Abstract:
Atopic dermatitis (AD) is a chronic inflammatory skin disease with a complex etiology that lacks effective treatment. The therapeutic goals include alleviating symptoms, such as moisturizing and applying antibacterial and anti-inflammatory medications. Hence, there is an urgent need to develop a patch that effectively alleviates most of the AD symptoms. In this study, we employed a “green” cross-linking approach of poly(vinyl alcohol) (PVA) using glycerol, and we combined it with polyacrylonitrile (PAN) to fabricate core–shell (CS) nanofibers through electrospinning. Our designed structure offers multiple benefits as the core ensures controlled drug release and increases the strength of the patch, while the shell provides skin moisturization and exudate absorption. The efficient PVA cross-linking method facilitates the inclusion of sensitive molecules such as fermented oils. In vitro studies demonstrate the patches’ exceptional biocompatibility and efficacy in minimizing cell ingrowth into the CS structure containing argan oil, a property highly desirable for easy removal of the patch. Histological examinations conducted on an ex vivo model showed the nonirritant properties of developed patches. Furthermore, the eradication of Staphylococcus aureus bacteria confirms the potential use of CS nanofibers loaded with argan oil or norfloxacin, separately, as an antibacterial patch for infected AD wounds. In vivo patch application studies on patients, including one with AD, demonstrated ideal patches’ moisturizing effect. This innovative approach shows significant promise in enhancing life quality for AD sufferers by improving skin hydration and avoiding infections.

Keywords:
atopic dermatitis, core−shell electrospun nanofibers, antibacterial, mucoadhesive, moisturizing patch

Zaccagnini F., De Biase D., Bovieri F., Perotto G., Quagliarini E., Bavasso I., Mangino G., Iuliano M., Calogero A., Romeo G., Pratap Singh D., Pierini F., Caracciolo G., Petronella F., De Sio L., Multifunctional FFP2 Face Mask for White Light Disinfection and Pathogens Detection using Hybrid Nanostructures and Optical Metasurfaces, Small, ISSN: 1613-6810, DOI: 10.1002/smll.202400531, Vol.20, No.38, pp.2400531-1-15, 2024

Abstract:
A new generation of an FFP2 (Filtering Face Piece of type 2) smart face mask is achieved by integrating broadband hybrid nanomaterials and a self-assembled optical metasurface. The multifunctional FFP2 face mask shows simultaneously white light-assisted on-demand disinfection properties and versatile biosensing capabilities. These properties are achieved by a powerful combination of white light thermoplasmonic responsive hybrid nanomaterials, which provide excellent photo-thermal disinfection properties, and optical metasurface-based colorimetric biosensors, with a very low limit of pathogens detection. The realized system is studied in optical, morphological, spectroscopic, and cell viability assay experiments and environmental monitoring of harmful pathogens, thus highlighting the extraordinary properties in reusability and pathogens detection of the innovative face mask.

Nakielski P., Kosik-Kozioł A., Rinoldi C., Rybak D., Namdev M., Jacob W., Lehmann T., Głowacki M., Bogusz S., Rzepna M., Marinelli M., Lanzi M., Dror S., Sarah M., Dmitriy S., Pierini F., Injectable PLGA Microscaffolds with Laser-Induced Enhanced Microporosity for Nucleus Pulposus Cell Delivery, Small, ISSN: 1613-6810, DOI: 10.1002/smll.202404963, pp.2404963-1-15, 2024

Abstract:
Intervertebral disc (IVD) degeneration is a leading cause of lower back pain (LBP). Current treatments primarily address symptoms without halting the degenerative process. Cell transplantation offers a promising approach for early-stage IVD degeneration, but challenges such as cell viability, retention, and harsh host environments limit its efficacy. This study aimed to compare the injectability and biocompatibility of human nucleus pulposus cells (hNPC) attached to two types of microscaffolds designed for minimally invasive delivery to IVD. Microscaffolds are developed from poly(lactic-co-glycolic acid) (PLGA) using electrospinning and femtosecond laser structuration. These microscaffolds are tested for their physical properties, injectability, and biocompatibility. This study evaluates cell adhesion, proliferation, and survival in vitro and ex vivo within a hydrogel-based nucleus pulposus model. The microscaffolds demonstrate enhanced surface architecture, facilitating cell adhesion and proliferation. Laser structuration improved porosity, supporting cell attachment and extracellular matrix deposition. Injectability tests show that microscaffolds can be delivered through small-gauge needles with minimal force, maintaining high cell viability. The findings suggest that laser-structured PLGA microscaffolds are viable for minimally invasive cell delivery. These microscaffolds enhance cell viability and retention, offering potential improvements in the therapeutic efficiency of cell-based treatments for discogenic LBP.

Kondra T., Ray G., Streltsov A., Coherence Manipulation in Asymmetry and Thermodynamics, PHYSICAL REVIEW LETTERS, ISSN: 0031-9007, DOI: 10.1103/PhysRevLett.132.200201, Vol.132, pp.200201-1-200201-6, 2024

Abstract:
In the classical regime, thermodynamic state transformations are governed by the free energy. This is also called as the second law of thermodynamics. Previous works showed that, access to a catalytic system allows us to restore the second law in the quantum regime when we ignore coherence. However, in the quantum regime, coherence and free energy are two independent resources. Therefore, coherence places additional nontrivial restrictions on the state transformations that remain elusive. In order to close this gap, we isolate and study the nature of coherence, i.e., we assume access to a source of free energy. We show that allowing catalysis along with a source of free energy allows us to amplify any quantum coherence present in the quantum state arbitrarily. Additionally, any correlations between the system and the catalyst can be suppressed arbitrarily. Therefore, our results provide a key step in formulating a fully general law of quantum thermodynamics.

Tauzowski P., Błachowski B., Lógó J., Optimal topologies considering fatigue with reliability constraint, Advances in Engineering Software, ISSN: 0965-9978, DOI: 10.1016/j.advengsoft.2023.103590, Vol.189, pp.1-12, 2024

Abstract:
This paper addresses a challenging engineering problem that combines stress-limited topology optimization, reliability analysis, and plasticity-based low-cycle fatigue. Each of these issues represents a complex problem on its own, necessitating significant computational effort. In this study, we propose a novel approach that integrates safety assessment into the topology optimization process while considering the number of cycles for low-cycle fatigue. Our method employs a linear approximation of the performance function for safety control, incorporating the number of failure cycles within a complex, multi-level load program. The methodology is validated through real experiments, using a finite element model with cubic shape functions that yield nearly identical results between numerical and experimental outcomes in the case of fatigue-resistant design for a bi-axially tensioned structural joint.

Keywords:
Topology optimization, stress constraints, Reliability analysis, low-cycle fatigue, fatigueplasticity

Kaszyca K., Marcin C., Bucholc B., Błyskun P., Nisar F., Rojek J., Zybała R., Using the Spark Plasma Sintering System for Fabrication of Advanced Semiconductor Materials, Materials, ISSN: 1996-1944, DOI: 10.3390/ma17061422, Vol.17, No.1422, pp.1-15, 2024

Abstract:
The interest in the Spark Plasma Sintering (SPS) technique has continuously increased over the last few years. This article shows the possibility of the development of an SPS device used for material processing and synthesis in both scientific and industrial applications and aims to present manufacturing methods and the versatility of an SPS device, presenting examples of processing Arc-Melted- (half-Heusler, cobalt triantimonide) and Self-propagating High-temperature Synthesis (SHS)-synthesized semiconductor (bismuth telluride) materials. The SPS system functionality development is presented, the purpose of which was to broaden the knowledge of the nature of SPS processes. This approach enabled the precise design of material sintering processes and also contributed to increasing the repeatability and accuracy of sintering conditions.

Keywords:
spark plasma sintering, arc melting, semiconductor materials, half-Heusler, bismuth telluride, cobalt triantimonide, SHS, SPS

Kaczmarek A., Wisniewska A., Mościcki T. P., Hoffman J., The Luminescence of Laser-Produced Carbon Nanodots: The Effect of Aggregation in PEI Solution, Materials, ISSN: 1996-1944, DOI: 10.3390/ma17071573, Vol.17, No.7, pp.1-15, 2024

Abstract:
Carbon nanodots (CNDs) produced in pure water by the ablation of graphite with a nanosecond laser pulse exhibit weak photoluminescence. A small addition of polyethyleneimine (PEI) to the aqueous suspension of CNDs causes a significant increase in emissions. This paper presents experimental and theoretical studies of the emission properties of CND/PEI systems. The obtained CNDs responded to even trace amounts of PEI in solution (~0.014% v/v), resulting in a significant increase in the initial weak blue emission of CNDs and PEI taken separately. Morphology and size measurements showed that particle aggregation occurred in the presence of the polymer. A decrease in the calculated Stokes shift values was observed with increasing PEI content in the solution. This indicates a reduction in the number of non-radiative transitions, which explains the increase in the emission intensity of the CND/PEI systems. These results therefore confirmed that the increase in the emission of CND/PEI systems is caused by particle aggregation. Kinetic studies proved that the process is controlled mainly by diffusion, the initial stage of which has a dominant influence on determining the optical properties of the system.

Keywords:
aggregation-induced emission, carbon nanodots, polyethyleneimine, intrinsic fluorescence, adsorption kinetic study

Strojny-Nędza A., Pietrzak K. Z., Jóźwik I., Bucholc B., Wyszkowska E., Kurpaska Ł., Grabias A., Malinowska A., Chmielewski M., Effect of Nitrogen Atmosphere Annealing of Alloyed Powders on the Microstructure and Properties of ODS Ferritic Steels, Materials, ISSN: 1996-1944, DOI: 10.3390/ma17081743, Vol.17, No.8, pp.1-19, 2024

Abstract:
Oxide Dispersion Strengthened (ODS) ferritic steels are promising materials for the nuclear power sector. This paper presents the results of a study on the sintering process using the Spark Plasma Sintering (SPS) technique, focusing on ODS ferritic steel powders with different contents (0.3 and 0.6 vol.%) of Y2O3. The novelty lies in the analysis of the effect of pre-annealing treatment on powders previously prepared by mechanical alloying on the microstructure, mechanical, and thermal properties of the sinters. Using the SPS method, it was possible to obtain well-densified sinters with a relative density above 98%. Pre-annealing the powders resulted in an increase in the relative density of the sinters and a slight increase in their thermal conductivity. The use of low electron energies during SEM analysis allowed for a fairly good visualization of the reinforcing oxides uniformly dispersed in the matrix. Analysis of the Mössbauer spectroscopy results revealed that pre-annealing induces local atomic rearrangements within the solid solution. In addition, there was an additional spectral component, indicating the formation of a Cr-based paramagnetic phase. The ODS material with a higher Y2O3 content showed increased Vickers hardness values, as well as increased Young’s modulus and nanohardness, as determined by nanoindentation tests.

Keywords:
spark plasma sintering, ODS ferritic steel, mechanical alloying, Mössbauer spectroscopy, nanoindentation

Frydrych K., Tomczak M., Papanikolaou S., Crystal Plasticity Parameter Optimization in Cyclically Deformed Electrodeposited Copper—A Machine Learning Approach, Materials, ISSN: 1996-1944, DOI: 10.3390/ma17143397, Vol.17, No.14, pp.3397-1-3397-14, 2024

Abstract:
This paper describes an application of a machine learning approach for parameter optimization. The method is demonstrated for the elasto-viscoplastic model with both isotropic and kinematic hardening. It is shown that the proposed method based on long short-term memory networks allowed a reasonable agreement of stress–strain curves to be obtained for cyclic deformation in a low-cycle fatigue regime. The main advantage of the proposed approach over traditional optimization schemes lies in the possibility of obtaining parameters for a new material without the necessity of conducting any further optimizations. As the power and robustness of the developed method was demonstrated for very challenging problems (cyclic deformation, crystal plasticity, self-consistent model and isotropic and kinematic hardening), it is directly applicable to other experiments and models.

Keywords:
crystal plasticity, optimization, machine learning, long short-term memory networks, self-consistent modeling, Eshelby solution, cyclic deformation, low cycle fatigue

Jóźwiak-Niedźwiedzka D., Jaskulski R., Dziedzic K., Brachaczek A., Jarząbek D., Initial Characteristics of Alkali–Silica Reaction Products in Mortar Containing Low-Purity Calcined Clay, Materials, ISSN: 1996-1944, DOI: 10.3390/ma17102207, Vol.17, No.10, pp.1-15, 2024

Abstract:
An alkali–silica reaction (ASR) is a chemical process that leads to the formation of an expansive gel, potentially causing durability issues in concrete structures. This article investigates the properties and behaviour of ASR products in mortar with the addition of low-purity calcined clay as an additional material. This study includes an evaluation of the expansion and microstructural characteristics of the mortar, as well as an analysis of the formation and behaviour of ASR products with different contents of calcined clay. Expansion tests of the mortar beam specimens were conducted according to ASTM C1567, and a detailed microscopic analysis of the reaction products was performed. Additionally, their mechanical properties were determined using nanoindentation. This study reveals that with an increasing calcined clay content, the amount of the crystalline form of the ASR gel decreases, while the nanohardness increases. The Young’s modulus of the amorphous ASR products ranged from 5 to 12 GPa, while the nanohardness ranged from 0.41 to 0.67 GPa. The obtained results contribute to a better understanding of how the incorporation of low-purity calcined clay influences the ASR in mortar, providing valuable insights into developing sustainable and durable building materials for the construction industry.

Keywords:
alkali–silica reaction, ASR products, calcined clay, mortar, expansion

Jaskulski R., Liszka K., Jóźwiak-Niedźwiedzka D., Multifaceted Analysis of the Thermal Properties of Shielding Cement-Based Composites with Magnetite Aggregate, Materials, ISSN: 1996-1944, DOI: 10.3390/ma17122936, Vol.17, No.2936, pp.1-19, 2024

Abstract:
The paper presents and discusses the results of a study of the thermal properties of cement composites with different contents of magnetite aggregate (0%, 20%, 40% and 60% by volume). The effect of grain size on the evaluated thermal properties was also investigated. For this purpose, concrete containing 50% by volume of magnetite aggregate with four different fractions (1–2 mm, 2–4 mm, 4–8 mm and 8–16 mm) was used. Thermal parameters were evaluated on specimens fully saturated with water and dried to a constant mass at 65 °C. The series with varying grain sizes of magnetite achieved thermal conductivity values in the range of 2.76–3.03 W/(m·K) and 2.00–2.21 W/(m·K) at full water saturation and after drying to a constant mass, respectively. In the case of the series with 20% magnetite by volume, the thermal conductivity was 2.65 W/(m·K) and 1.99 W/(m·K) for the material fully saturated with water and dried to a constant mass, respectively. The series with a 60% volume share of magnetite obtained values of this parameter of 3.47 W/(m·K) and 2.66 W/(m·K), respectively, under the same assumptions.

Keywords:
shielding concrete, thermal properties, magnetite aggregate

Nwaji N., Hyojin K., Birhanu Bayissa G., Osial M., Vapaavuori J., Lee J., Giersig M., A Stable Perovskite Sensitized Photonic Crystal P, ChemSusChem, ISSN: 1864-5631, DOI: 10.1002/cssc.202400395, pp.2-9, 2024

Abstract:
The slow photon effect in inverse opal photonic crystals
represents a promising approach to manipulate the interactions
between light and matter through the design of material
structures. This study introduces a novel ordered inverse opal
photonic crystal (IOPC) sensitized with perovskite quantum dots
(PQDs), demonstrating its efficacy for efficient visible-lightdriven
H2 generation via water splitting. The rational structural
design contributes to enhanced light harvesting. The sensitization
of the IOPC with PQDs improves optical response performance
and enhances photocatalytic H2 generation under visible
light irradiation compared to the IOPC alone. The designed
photoanode exhibits a photocurrent density of 3.42 mAcm

Keywords:
Hydrogen production, inverse opals, perovskite, quantum dots, photocatalysts, photonic crystals

Loayza-Aguilar Rómulo E., Carhuapoma-Garay J., Ramos-Falla K., Saldaña-Rojas Guillermo B., Huamancondor-Paz Yolanda P., Campoverde-Vigo L., Merino F., Olivos-Ramirez G. E., Epibionts affect the growth and survival of Argopecten purpuratus (Lamarck, 1819) cultivated in Samanco Bay, Peru, Aquaculture, ISSN: 0044-8486, DOI: 10.1016/j.aquaculture.2023.740042, Vol.578, pp.740042-1-10, 2024

Abstract:
Argopecten purpuratus, a mollusk very cultivated in Peru, is a species whose ecological relations with respect to the epibionts that colonize it are not well known. For that reason, the objective of this research was to determine the effect of epibionts on valvar growth, total weight, gonad weight, adductor muscle weight, and survival of this cultured species in Samanco Bay. Four lanterns of 2 m and 10 floors were placed with 25 organisms, of 7 cm each, per floor, in two treatments: with epibiont removal (T1) and without removal (T2). The data was obtained after harvest, and the epibiont species on the right and left valves were identified and quantified in T1 and T2. In addition, the Absolute Growth Rate (AGR) was calculated for the meristic records, and the t Student test was applied to compare averages. Furthermore, mortality was recorded at harvest. The analyses allowed the identification of 43 epibiont species, 3 of them endolithic. The greatest biomass is of filter feeders: 70.1% in T1 and 90.9% in T2, and concentrated in 4 species, with limited development in T1. The biomass on the right valve at T1 and T2 represented 80.7 and 151.8% of the weight of the organism, respectively, and on the left valve 89.3 and 95.1%. All Absolute Growth Rates at T1 were higher than at T2, although without statistical significance. Mortality at T1 and T2 was negligible. This research has determined that the epibionts S. patagonicus, C. intestinalis, Hidroydes sp., and B. neritina, qualified as engineered species, are the predominant species on A. purpuratus in suspended cultures. Likewise, treatments with epibiont removal showed a lower development of these and 39 other associated species of lesser importance in terms of number and biomass. Our results allow us to infer that the development of epibionts can generate important stress in A. purpuratus, resulting in losses in the profitability of companies dedicated to this activity.

Keywords:
Argopecten purpuratus, Aquaculture, Epibiosis, Biofouling, Bivalve

Pawłowska A., Ćwierz-Pieńkowska A., Domalik A., Jaguś D., Kasprzak P., Matkowski R., Fura , Nowicki A., Żołek N.S., Curated benchmark dataset for ultrasound based breast lesion analysis, Scientific Data, ISSN: 2052-4463, DOI: 10.1038/s41597-024-02984-z, Vol.11, No.148, pp.1-13, 2024

Abstract:
A new detailed dataset of breast ultrasound scans (BrEaST) containing images of benign and malignant lesions as well as normal tissue examples, is presented. The dataset consists of 256 breast scans collected from 256 patients. Each scan was manually annotated and labeled by a radiologist experienced in breast ultrasound examination. In particular, each tumor was identified in the image using a freehand annotation and labeled according to BIRADS features and lexicon. The histopathological classification of the tumor was also provided for patients who underwent a biopsy.
The BrEaST dataset is the first breast ultrasound dataset containing patient-level labels, image-level annotations, and tumor-level labels with all cases confirmed by follow-up care or core needle biopsy result. To enable research into breast disease detection, tumor segmentation and classification, the BrEaST dataset is made publicly available with the CC-BY 4.0 license.

Pietrzyk-Thel P., Jain A., Bochenek K., Michalska M., Basista M. A., Szabo T., Nagy P., Wolska A., Klepka M., Flexible, tough and high-performing ionogels for supercapacitor application, Journal of Materiomics, ISSN: 2352-8478, DOI: 10.1016/j.jmat.2024.01.008, pp.1-41, 2024

Abstract:
Ionogels are an attractive class of materials for smart and flexible electronics and are prepared from the combination of a polymer and ionic liquid which is entrapped in this matrix. Ionogels provide a continuous conductive phase with high thermal, mechanical, and chemical stability. However, because of the higher percentage of ionic liquids it is difficult to obtain an ionogel with high ionic conductivity and mechanical stability, which are very important from an application point of view. In this work, ionogel films with high flexibility, excellent ionic conductivity, and exceptional stability were prepared using polyvinyl alcohol as the host polymer matrix and 1-ethyl-3-methylimidazolium hydrogen sulfate as the ionic liquid using water as the solvent for energy storage application. The prepared ionogel films exhibited good mechanical stability along with sustaining strain of more than 100% at room temperature and low temperature, the ability to withstand twisting up to 360° and different bending conditions, and excellent ionic conductivity of 5.12 × 10−3 S/cm. The supercapacitor cell fabricated using the optimized ionogel film showed a capacitance of 39.9 F/g with an energy and power densities of 5.5 Wh/kg and 0.3 kW/kg, respectively confirming the suitability of ionogels for supercapacitor application.

Keywords:
Ionic liquid, Gel polymer electrolyte, Ionic conductivity, 1-Ethyl-3-methylimidazolium hydrogen sulfate, Supercapacitors

Chandan D., Tulja Varun K., Miller M., Streltsov A.^♦, Entanglement catalysis for quantum states and noisy channels, Quantum 8, ISSN: 2521-327X, DOI: 10.22331/q-2024-03-20-1290, Vol.8, pp.1-20, 2024

Abstract:
Many applications of the emerging quantum technologies, such as quantum teleportation and quantum key distribution, require singlets, maximally entangled states of two quantum bits. It is thus of utmost importance to develop optimal procedures for establishing singlets between remote parties. As has been shown very recently, singlets can be obtained from other quantum states by using a quantum catalyst, an entangled quantum system which is not changed in the procedure. In this work we take this idea further, investigating properties of entanglement catalysis and its role for quantum communication. For transformations between bipartite pure states, we prove the existence of a universal catalyst, which can enable all possible transformations in this setup. We demonstrate the advantage of catalysis in asymptotic settings, going beyond the typical assumption of independent and identically distributed systems. We further develop methods to estimate the number of singlets which can be established via a noisy quantum channel when assisted by entangled catalysts. For various types of quantum channels our results lead to optimal protocols, allowing to establish the maximal number of singlets with a single use of the channel.

Birhanu Bayissa G., Teshome Tufa L., Nwaji Njemuwa N., Xiaojun H., Lee J., Advances in All‑Solid‑State Lithium–Sulfur Batteries for Commercialization, Nano-Micro Letters, ISSN: 2150-5551, DOI: 10.1007/s40820-024-01385-6, Vol.16, pp.2-38, 2024

Abstract:
Solid-state batteries are commonly acknowledged as the forthcoming evolution
in energy storage technologies. Recent development progress for these rechargeable
batteries has notably accelerated their trajectory toward achieving commercial
feasibility. In particular, all-solid-state lithium–sulfur batteries (ASSLSBs) that rely
on lithium–sulfur reversible redox processes exhibit immense potential as an energy
storage system, surpassing conventional lithium-ion batteries. This can be attributed
predominantly to their exceptional energy density, extended operational lifespan, and
heightened safety attributes. Despite these advantages, the adoption of ASSLSBs in the
commercial sector has been sluggish. To expedite research and development in this particular
area, this article provides a thorough review of the current state of ASSLSBs. We
delve into an in-depth analysis of the rationale behind transitioning to ASSLSBs, explore
the fundamental scientific principles involved, and provide a comprehensive evaluation
of the main challenges faced by ASSLSBs. We suggest that future research in this field
should prioritize plummeting the presence of inactive substances, adopting electrodes with optimum performance, minimizing interfacial
resistance, and designing a scalable fabrication approach to facilitate the commercialization of ASSLSBs

Nthunya Lebea N., Kok Chung C., Soon Onn L., Woei Jye L., Eduardo Alberto L., Lucy Mar C., Shirazi Mohammad Mahdi A., Aamer A., Mamba Bhekie B., Osial M., Pietrzyk-Thel P., Pręgowska A., Mahlangu Oranso T., Progress in membrane distillation processes for dye wastewater treatment: A review, Chemosphere, ISSN: 0045-6535, DOI: 10.1016/j.chemosphere.2024.142347, pp.1-104, 2024

Abstract:
Textile and cosmetic industries generate large amounts of dye effluents requiring treatment before discharge. This wastewater contains high levels of reactive dyes, low to none-biodegradable materials and chemical residues. Technically, dye wastewater is characterised by high chemical and biological oxygen demand. Biological, physical and pressure-driven membrane processes have been extensively used in textile wastewater treatment plants. However, these technologies are characterised by process complexity and are often costly. Also, process efficiency is not achieved in cost-effective biochemical and physical treatment processes. Membrane distillation (MD) emerged as a promising technology harnessing challenges faced by pressure-driven membrane processes. To ensure high cost-effectiveness, the MD can be operated by solar energy or low-grade waste heat. Herein, the MD purification of dye wastewater is comprehensively and yet concisely discussed. This involved research advancement in MD processes towards removal of dyes from industrial effluents. Also, challenges faced by this process with a specific focus on fouling are reviewed. Current literature mainly tested MD setups in the laboratory scale suggesting a deep need of further optimization of membrane and module designs in near future, especially for textile wastewater treatment. There is a need to deliver customized high-porosity hydrophobic membrane design with the appropriate thickness and module configuration to reduce concentration and temperature polarization. Also, energy loss should be minimized while increasing dye rejection and permeate flux. Although laboratory experiments remain pivotal in optimizing the MD process for treating dye wastewater, their time-intensive nature poses a challenge. Given the multitude of parameters involved in MD process optimization, artificial intelligence (AI) methodologies present a promising avenue for assistance. Thus, AI-driven algorithms have the potential to enhance overall process efficiency, cutting down on time, fine-tuning parameters, and driving cost reductions. However, achieving an optimal balance between efficiency enhancements and financial outlays is a complex process. Finally, this paper suggests a research direction for the development of effective synthetic and natural dye removal from industrially discharged wastewater.

Keywords:
Energy Consumption,Dye Effluent,Fouling,Heat and Mass Transfer,Membrane and Module Design

Macek W., Kopeć M., Laska A., Kowalewski Z. L., Entire fracture surface topography parameters for fatigue life assessment of 10H2M steel, Journal of Constructional Steel Research, ISSN: 1873-5983, DOI: 10.1016/j.jcsr.2024.108890, Vol.221, No.108890, pp.1-11, 2024

Abstract:
In this paper, the entire fracture surface approach was used to assess an effect of 280,000 h of exploitation under internal pressure of 2.9 MPa and high temperature of 540 °C on the fatigue response of 10H2M (10CrMo9–10) power engineering steel. The mechanical testing was carried out on the hourglass specimens produced from the as-received, unused pipeline and the same material after long-time exploitation. The uniaxial tensile tests were performed to establish the stress amplitude for subsequent force controlled, fatigue testing in the range from ±250 MPa to ±400 MPa under the frequency of 20 Hz. Since the exploited 10H2M steel was characterized by significantly lower mechanical properties, different damage mechanisms responsible for specimen failure were revealed through fracture surface analysis. The fracture surface topography evaluation was performed with a 3D non-contact measuring system. It was found, that the exploitation state has a strong impact on the fatigue life and fracture characteristics since the significant drop in lifespan of about 300 %–400 % was found for the material after prolonged service. Finally, the proposed surface topography parameter was related to the stress amplitude in order to estimate the fatigue life for the steel in question.

Keywords:
fatigue , 10H2M steel , Mechanical properties , Surface topography

Kopeć M., Dubey Ved P., Pawlik M., Wood P., Kowalewski Z.L., Experimental identification of yield surface for additively manufactured stainless steel 316L under tension–compression-torsion conditions considering its printing orientation, Manufacturing Letters, ISSN: 2213-8463, DOI: 10.1016/j.mfglet.2024.07.003, Vol.41, pp.28-32, 2024

Abstract:
Stainless steel 316L tubes and bars were additively manufactured (AM) by using the Laser Powder Bed Fusion Melting (LPBF-M) method in three orientations. As-built specimens were then machined and the initial yield surface was determined for three printing orientations based on the yield stress definition for 0.005 % plastic offset strain. The as-received, wrought material was additionally tested using the same tension–compression-torsion conditions to compare the mechanical behaviour of AM and wrought SS316L. The sizes of yield surfaces elaborated for LPBF-M specimens increased along the tensile and compressive directions and shrunk when torsion was applied, as compared to the as-received specimen.

Keywords:
Stainless steel ,Yield surface ,Additive manufacturing

Liu X., Jin S., Ming M., Fan C., Liu H., Politis D.J., Kopeć M., A high throughput in-situ measurement of heat transfer in successive non-isothermal forming of sheet alloys, Journal of Manufacturing Processes, ISSN: 1526-6125, DOI: 10.1016/j.jmapro.2024.08.048, Vol.129, pp.77-91, 2024

Abstract:
The measurement and control of the heat transfer of sheet alloys in successive non-isothermal forming cycles is crucial to achieve the desired post-form properties and microstructure, which could not as of yet be realized by using traditional test facilities. In the present research, a novel heat transfer measurement facility was designed to generate and subsequently measure the in-situ heat transfer from a sheet alloy to multi-mediums such as forming tools, air, lubricant and coating. More importantly, the facility was able to use a single sheet alloy sample to perform successive non-isothermal forming cycles, and subsequently obtain high throughput experimental results including the temperature evolution, cooling rate, mechanical properties and microstructures of the alloy. The high throughput in-situ heat transfer measurement facility identified that the cooling rate of AA7075 was 152 °C/s and the mechanical strength was over 530 MPa in the 1st forming cycle. However, it decreased to less than the critical value of 100 °C/s in the successive 10th forming cycle, leading to a low mechanical strength of only 487 MPa. The identified variations that occur in the successive non-isothermal forming cycles would improve the consistency and accuracy of part performance in large-scale manufacturing.

Keywords:
High throughput in-situ measurement,Heat transfer,Successive non-isothermal forming,Sheet alloys,Microstructure

Olszewski R., Watros K., Mańczak M., Owoc J., Jeziorski K., Brzeziński J., Assessing the response quality and readability of chatbots in cardiovascular health, oncology, and psoriasis: A comparative study, International Journal of Medical Informatics, ISSN: 1386-5056, DOI: 10.1016/j.ijmedinf.2024.105562, Vol.190, No.105562, pp.1-7, 2024

Abstract:
Background: Chatbots using the Large Language Model (LLM) generate human responses to questions from all
categories. Due to staff shortages in healthcare systems, patients waiting for an appointment increasingly use
chatbots to get information about their condition. Given the number of chatbots currently available, assessing the
responses they generate is essential.
Methods: Five chatbots with free access were selected (Gemini, Microsoft Copilot, PiAI, ChatGPT, ChatSpot) and
blinded using letters (A, B, C, D, E). Each chatbot was asked questions about cardiology, oncology, and psoriasis.
Responses were compared to guidelines from the European Society of Cardiology, American Academy of
Dermatology and American Society of Clinical Oncology. All answers were assessed using readability scales
(Flesch Reading Scale, Gunning Fog Scale Level, Flesch-Kincaid Grade Level and Dale-Chall Score). Using a 3-
point Likert scale, two independent medical professionals assessed the compliance of the responses with the
guidelines.
Results: A total of 45 questions were asked of all chatbots. Chatbot C gave the shortest answers, 7.0 (6.0 – 8.0), and Chatbot A the longest 17.5 (13.0 – 24.5). The Flesch Reading Ease Scale ranged from 16.3 (12.2 – 21.9)
(Chatbot D) to 39.8 (29.0 – 50.4) (Chatbot A). Flesch-Kincaid Grade Level ranged from 12.5 (10.6 – 14.6) (Chatbot A) to 15.9 (15.1 – 17.1) (Chatbot D). Gunning Fog Scale Level ranged from 15.77 (Chatbot A) to 19.73 (Chatbot D). Dale-Chall Score ranged from 10.3 (9.3 – 11.3) (Chatbot A) to 11.9 (11.5 – 12.4) (Chatbot D).
Conclusion: This study indicates that chatbots vary in length, quality, and readability. They answer each question
in their own way, based on the data they have pulled from the web. Reliability of the responses generated by
chatbots is high. This suggests that people who want information from a chatbot need to be careful and verify the answers they receive, particularly when they ask about medical and health aspects.

Keywords:
Chatbots,Readability,Cardiovascular health,Oncology

Barros G., Andre P., Rojek J., Carter J., Thoeni K., Time domain coupling of the boundary and discrete element methods for 3D problems, COMPUTATIONAL MECHANICS, ISSN: 0178-7675, DOI: 10.1007/s00466-024-02455-7, pp.1-19, 2024

Abstract:
This paper presents an extension of the authors’ previously developed interface coupling technique for 2D problems to 3D problems. The method combines the strengths of the Discrete Element Method (DEM), known for its adeptness in capturing discontinuities and non-linearities at the microscale, and the Boundary Element Method (BEM), known for its efficiency in modelling wave propagation within infinite domains. The 3D formulation is based on spherical discrete elements and bilinear quadrilateral boundary elements. The innovative coupling methodology overcomes a critical limitation by enabling the representation of discontinuities within infinite domains, a pivotal development for large-scale dynamic problems. The paper systematically addresses challenges, with a focus on interface compatibility, showcasing the method’s accuracy through benchmark validation on a finite rod and infinite spherical cavity. Finally, a model of a column embedded into the ground illustrates the versatility of the approach in handling complex scenarios with multiple domains. This innovative coupling approach represents a significant leap in the integration of DEM and BEM for 3D problems and opens avenues for tackling complex and realistic problems in various scientific and engineering domains.

Keywords:
Interface coupling, Concurrent multi-scale coupling, Boundary element method (BEM), Discrete element method (DEM) , Staggered time integration, Dynamic wave propagation, Infinite domain

Tauzowski P., Błachowski B., Lógó J., Computational framework for a family of methods based on stress-constrained topology optimization, COMPUTERS AND STRUCTURES, ISSN: 0045-7949, DOI: 10.1016/j.compstruc.2024.107493, Vol.303, pp.1-14, 2024

Abstract:
This study presents a general computational framework for topology optimization under constraints related to various engineering design problems, including: reliability analysis, low-cycle fatigue assessment, and stress limited analysis. Such a framework aims to facilitate comprehensive engineering design considerations by incorporating traditional constraints such as displacement and stress alongside probabilistic assessments of fatigue failure and the complex behaviors exhibited by structures made of elastoplastic material. The framework's amalgamation of diverse analytical components offers engineers a versatile toolkit to address intricate design challenges. Notably, the inclusion of reliability analysis introduces a probabilistic perspective, transforming conventional design constraints into random parameters, thereby enhancing the robustness of the design process.

Key to the framework's efficacy is its implementation using MATLAB mathematical computing software, leveraging the platform's efficient code execution and object-oriented programming paradigm. This choice ensures an intuitive and potent environment for designers and researchers, facilitating seamless adaptation across various engineering applications. Additionally, the proposed previously by the Authors algorithm for the topology optimization is extended by adaptive strategy allowing for efficient adjustment of an amount of material removed at individual optimization step.

The presented framework is offering a comprehensive and integrated approach to address multifaceted design challenges while enhancing design robustness and efficiency.

Keywords:
Topology optimization, Stress constraints, First order reliability analysis, Low-cycle fatigue, Plasticity

Maździarz M., Nosewicz S., Atomistic investigation of deformation and fracture of individual structural components of metal matrix composites, ENGINEERING FRACTURE MECHANICS, ISSN: 0013-7944, DOI: 10.1016/j.engfracmech.2024.109953, Vol.298, pp.109953-1-109953-21, 2024

Abstract:
This paper focuses on the development of the atomistic framework for determining the lower scale mechanical parameters of single components of a metal matrix composite for final application to a micromechanical damage model. Here, the deformation and failure behavior of NiAl–Al2O3 interfaces and their components, metal and ceramic, are analyzed in depth using molecular statics calculations. A number of atomistic simulations of strength tests, uniaxial tensile, uniaxial compressive and simple shear, have been performed in order to obtain a set of stiffness tensors and strain–stress characteristics up to failure for 30 different crystalline and amorphous systems. Characteristic points on the strain–stress curves in the vicinity of failure are further analyzed at the atomistic level, using local measures of lattice disorder. Numerical results are discussed in the context of composite damage at upper microscopic scale based on images of the fracture surface of NiAl–Al2O3 composites.

Keywords:
Metal-matrix composites (MMCs), Fracture, Computational modeling, Mechanical testing, Molecular statics

Ziai Y., Rinoldi C., Petronella F., Zakrzewska A., De Sio L., Pierini F., Lysozyme-sensitive plasmonic hydrogel nanocomposite for colorimetric dry-eye inflammation biosensing, NANOSCALE, ISSN: 2040-3364, DOI: 10.1039/d4nr01701c, Vol.16, No.28, pp.13492-13502, 2024

Abstract:
Detection of lysozyme levels in ocular fluids is considered crucial for diagnosing and monitoring various health and eye conditions, including dry-eye syndrome. Hydrogel-based nanocomposites have been demonstrated to be one of the most promising platforms for fast and accurate sensing of different biomolecules. In this work, hydrogel, electrospun nanofibers, and plasmonic nanoparticles are combined to fabricate a sensitive and easy-to-use biosensor for lysozyme. Poly(L-lactide-co-caprolactone) (PLCL) nanofibers were covered with silver nanoplates (AgNPls), providing a stable plasmonic platform, where a poly(N-isopropylacrylamide)-based (PNIPAAm) hydrogel layer allows mobility and good integration of the biomolecules. By integrating these components, the platform can also exhibit a colorimetric response to the concentration of lysozyme, allowing for easy and non-invasive monitoring. Quantitative biosensing operates on the principle of localized surface plasmon resonance (LSPR) induced by plasmonic nanoparticles. Chemical, structural, thermal, and optical characterizations were performed on each platform layer, and the platform's ability to detect lysozyme at concentrations relevant to those found in tears of patients with dry-eye syndrome and other related diseases was investigated by colorimetry and UV-Vis spectroscopy. This biosensor's sensitivity and rapid response time, alongside the easy detection by the naked eye, make it a promising tool for early diagnosis and treatment monitoring of eye diseases.

Cofas Vargas L. F., Olivos-Ramirez G. E., Chwastyk M., Moreira R.A., Baker J. L., Marrink S. J., Poma Bernaola A.M., Nanomechanical footprint of SARS-CoV-2 variants in complex with a potent nanobody by molecular simulations, NANOSCALE, ISSN: 2040-3364, DOI: 10.1039/D4NR02074J, Vol.16, No.40, pp.18824-18834, 2024

Abstract:
Rational design of novel antibody therapeutics against viral infections such as coronavirus relies on surface complementarity and high affinity for their effectiveness. Here, we explore an additional property of protein complexes, the intrinsic mechanical stability, in SARS-CoV-2 variants when complexed with a potent antibody. In this study, we utilized a recent implementation of the GōMartini 3 approach to investigate large conformational changes in protein complexes with a focus on the mechanostability of the receptor-binding domain (RBD) from WT, Alpha, Delta, and XBB.1.5 variants in complex with the H11-H4 nanobody. The analysis revealed moderate differences in mechanical stability among these variants. Also, we identified crucial residues in both the RBD and certain protein segments in the nanobody that contribute to this property. By performing pulling simulations and monitoring the presence of specific native and non-native contacts across the protein complex interface, we provided mechanistic insights into the dissociation process. Force-displacement profiles indicate a tensile force clamp mechanism associated with the type of protein complex. Our computational approach not only highlights the key mechanostable interactions that are necessary to maintain overall stability, but it also paves the way for the rational design of potent antibodies that are mechanostable and effective against emergent SARS-CoV-2 variants.

Keywords:
SARS-CoV-2, GōMartini 3, Nanomechanics, Protein complexes, protein engineering, MD, native contacts

Zaszczyńska A., Gradys A.D., Ziemiecka A., Szewczyk P., Tymkiewicz R., Lewandowska-Szumieł M., Stachewicz U., Sajkiewicz P.Ł., Enhanced Electroactive Phases of Poly(vinylidene Fluoride) Fibers for Tissue Engineering Applications, International Journal of Molecular Sciences, ISSN: 1422-0067, DOI: 10.3390/ijms25094980, Vol.25, No.9, pp.4980-1-25, 2024

Abstract:
Nanofibrous materials generated through electrospinning have gained significant attention in tissue regeneration, particularly in the domain of bone reconstruction. There is high interest in designing a material resembling bone tissue, and many scientists are trying to create materials applicable to bone tissue engineering with piezoelectricity similar to bone. One of the prospective candidates is highly piezoelectric poly(vinylidene fluoride) (PVDF), which was used for fibrous scaffold formation by electrospinning. In this study, we focused on the effect of PVDF molecular weight (180,000 g/mol and 530,000 g/mol) and process parameters, such as the rotational speed of the collector, applied voltage, and solution flow rate on the properties of the final scaffold. Fourier Transform Infrared Spectroscopy allows for determining the effect of molecular weight and processing parameters on the content of the electroactive phases. It can be concluded that the higher molecular weight of the PVDF and higher collector rotational speed increase nanofibers’ diameter, electroactive phase content, and piezoelectric coefficient. Various electrospinning parameters showed changes in electroactive phase content with the maximum at the applied voltage of 22 kV and flow rate of 0.8 mL/h. Moreover, the cytocompatibility of the scaffolds was confirmed in the culture of human adipose-derived stromal cells with known potential for osteogenic differentiation. Based on the results obtained, it can be concluded that PVDF scaffolds may be taken into account as a tool in bone tissue engineering and are worth further investigation.

Keywords:
scaffolds,polymers,piezoelectricity,bone tissue engineering,nanofibers,regenerative medicine

Kucharski S. J., Maj M., Ryś M., Petryk H. M., Size effects in spherical indentation of single crystal copper, INTERNATIONAL JOURNAL OF MECHANICAL SCIENCES, ISSN: 0020-7403, DOI: 10.1016/j.ijmecsci.2024.109138, Vol.272, pp.1-15, 2024

Keywords:
Hardness, Lattice rotation, Plasticity, Strain Gradient

Rezaee Hajidehi M., Ryś M., Modeling the interaction between instabilities and functional degradation in shape memory alloys, INTERNATIONAL JOURNAL OF MECHANICAL SCIENCES, ISSN: 0020-7403, DOI: 10.1016/j.ijmecsci.2024.109569, Vol.282, pp.109569-1-16, 2024

Abstract:
Localization of the stress-induced martensitic phase transformation plays an important role in the fatigue behavior of shape memory alloys (SMAs). The phenomenon of return-point memory that is observed during the subloop deformation of a partially-transformed SMA is a clear manifestation of the interaction between localized phase transformation and degradation of the functional properties. The present study aims to demonstrate this structure–material interaction in the modeling of return-point memory. It seems that this crucial aspect has been overlooked in previous modeling studies. For this purpose, we developed a gradient- enhanced model of pseudoelasticity that incorporates the degradation of functional properties in its constitutive description. The model is employed to reproduce the hierarchical return-point memory in a pseudoelastic NiTi wire under isothermal uniaxial tension with nested subloops. Additionally, a detailed analysis is carried out for NiTi strip with a more complex transformation pattern. Our study highlights the subtle morphological changes of phase transformation under different loading scenarios and the resulting implications for return-point memory.

Keywords:
Shape memory alloys,Phase transformation,Functional degradation ,Propagating instabilities,Subloop deformation,Modeling

James B., Stupkiewicz S., Indentation of a thin incompressible layer with finite friction, INTERNATIONAL JOURNAL OF SOLIDS AND STRUCTURES, ISSN: 0020-7683, DOI: 10.1016/j.ijsolstr.2024.112868, Vol.298, pp.112868-1-8, 2024

Abstract:
If a thin layer of an incompressible elastic material is pressed between two plane surfaces, the effective stiffness is very sensitive to the presence of frictional slip. This effect is investigated using a low-order polynomial representation of the through-thickness displacement profile. Results show good agreement with finite element studies and also show that the stiffness is significantly affected by that part of the layer [if any] outside the loaded region. The same result is then used in convolution to approximate the load-displacement response for a convex indenter.

Keywords:
Thin elastic layer,Coulomb friction,Contact mechanics

Maździarz M., Uncertainty of DFT Calculated Mechanical and Structural Properties of Solids due to Incompatibility of Pseudopotentials and Exchange–Correlation Functionals, Journal of Chemical Theory and Computation, ISSN: 1549-9618, DOI: 10.1021/acs.jctc.4c01036, Vol.20, No.21, pp.9734-9740, 2024

Abstract:
The demand for pseudopotentials constructed for a given exchange-correlation (XC) functional far exceeds the supply, necessitating the use of those commonly available. The number of XC functionals currently available is in the hundreds, if not thousands, and the majority of pseudopotentials have been generated for LDA and PBE. The objective of this study is to identify the error in the determination of the mechanical and structural properties (lattice constant, cohesive energy, surface energy, elastic constants, and bulk modulus) of crystals calculated by DFT with such inconsistency. Additionally, this study aims to estimate the performance of popular XC functionals (LDA, PBE, PBEsol, and SCAN) for these calculations in a consistent manner.

Keywords:
DFT, pseudopotentials, exchange–correlation functionals

Melikhov Y., Ekiel-Jeżewska M. L., Attracting dynamical modes of highly elastic fibres settling under gravity in a viscous fluid, JOURNAL OF FLUID MECHANICS, ISSN: 0022-1120, DOI: 10.1017/jfm.2024.729, Vol.994, pp.A13-1-20, 2024

Abstract:
The dynamics of a single highly elastic fibre settling under gravity in a very viscous fluid is studied numerically. We employ the bead model and multipole expansion of the Stokes equations, corrected for lubrication that is implemented in the precise Hydromultipole numerical codes. Four attracting regular dynamical modes of highly elastic fibres are found: two stationary shapes (one translating and the other rotating and translating), and two periodic oscillations around such shapes. The phase diagram of these modes is presented. It illustrates that the existence of each mode depends not only on the elasto-gravitation number but also on the fibre aspect ratio. Characteristic time scales, fibre deformation patterns and motion in the different modes are determined.

Keywords:
stokesian dynamics, particle/fluid flows

Sznajder P., Zdybel P., Liu L., Ekiel-Jeżewska M. L., Scaling law for a buckled elastic filament in a shear flow, PHYSICAL REVIEW E, ISSN: 2470-0045, DOI: 10.1103/PhysRevE.110.025104, Vol.110, No.2, pp.025104-1-12, 2024

Abstract:
We analyze the three-dimensional (3D) buckling of an elastic filament in a shear flow of a viscous fluid at low Reynolds number and high Péclet number. We apply the Euler-Bernoulli beam (elastica) theoretical model. We show the universal character of the full 3D spectral problem for a small perturbation of a thin filament from a straight position of arbitrary orientation. We use the eigenvalues and eigenfunctions for the linearized elastica equation in the shear plane, found earlier by Liu et al. [Phys. Rev. Fluids 9, 014101 (2024)] with the Chebyshev spectral collocation method, to solve the full 3D eigenproblem. We provide a simple analytic approximation of the eigenfunctions, represented as Gaussian wave packets. As the main result of the paper, we derive the square-root dependence of the eigenfunction wave number on the parameter χ˜ = −η sin 2φ sin2 θ, where

Bartolewska M., Kosik-Kozioł A., Korwek Z., Krysiak Z., Devis M., Mazur M., Giuseppe F., Pierini F., Eumelanin-Enhanced Photothermal Disinfection of Contact Lenses Using a Sustainable Marine Nanoplatform Engineered with Electrospun Nanofibers, ADVANCED HEALTHCARE MATERIALS, ISSN: 2192-2659, DOI: 10.1002/adhm.202402431, pp.2402431-1-21, 2024

Abstract:
Bacterial keratitis (BK) is a severe eye infection commonly associated with Staphylococcus aureus (S. aureus), posing a significant risk to vision, especially among contact lens wearers. This research introduces a novel smart nanoplatform (deMS@cNF), developed from demineralized mussel shells (deMS) and reinforced with chitin (CT) nanofibrils, specifically designed for portable photothermal disinfection of contact lenses. The nanoplatform leverages the photothermal properties of eumelanin in mussel shells (MS), which, when activated by a simple bike flashlight, rapidly heats to temperatures up to 95 °C, effectively destroying bacterial contamination. In vitro tests demonstrate that the nanoplatform is biocompatible and non-toxic, making it suitable for medical applications. This study highlights an innovative approach to converting marine biowaste into a safe, effective, and low-cost portable method for disinfecting contact lenses, showcasing the potential of the deMS@cNF platform for broader antimicrobial applications.

Rybak D., Rinoldi C., Nakielski P., Du J., Haghighat Bayan Mohammad A., Zargarian S.S., Pruchniewski M., Li X., Strojny-Cieślak B., Ding B., Pierini F., Injectable and self-healable nano-architectured hydrogel for NIR-light responsive chemo- and photothermal bacterial eradication, JOURNAL OF MATERIALS CHEMISTRY B , ISSN: 2050-7518, DOI: 10.1039/D3TB02693K, Vol.12, No.7, pp.1905-1925, 2024

Abstract:
Hydrogels with multifunctional properties activated at specific times have gained significant attention in the biomedical field. As bacterial infections can cause severe complications that negatively impact wound repair, herein, we present the development of a stimuli-responsive, injectable, and in situ-forming hydrogel with antibacterial, self-healing, and drug-delivery properties. In this study, we prepared a Pluronic F-127 (PF127) and sodium alginate (SA)-based hydrogel that can be targeted to a specific tissue via injection. The PF127/SA hydrogel was incorporated with polymeric short-filaments (SFs) containing an anti-inflammatory drug – ketoprofen, and stimuli-responsive polydopamine (PDA) particles. The hydrogel, after injection, could be in situ gelated at the body temperature, showing great in vitro stability and self-healing ability after 4 h of incubation. The SFs and PDA improved the hydrogel injectability and compressive strength. The introduction of PDA significantly accelerated the KET release under near-infrared light exposure and extended its release validity period. The excellent composites’ photo-thermal performance led to antibacterial activity against representative Gram-positive and Gram-negative bacteria, resulting in 99.9% E. coli and S. aureus eradication after 10 min of NIR light irradiation. In vitro, fibroblast L929 cell studies confirmed the materials’ biocompatibility and paved the way toward further in vivo and clinical application of the system for chronic wound treatments.

Deshpande S., Bordas S., Lengiewicz J. A., MAgNET: A graph U-Net architecture for mesh-based simulations, Engineering Applications of Artificial Intelligence, ISSN: 0952-1976, DOI: 10.1016/j.engappai.2024.108055, Vol.133 B, No.108055, pp.1-18, 2024

Abstract:
In many cutting-edge applications, high-fidelity computational models prove to be too slow for practical use and are therefore replaced by much faster surrogate models. Recently, deep learning techniques have increasingly been utilized to accelerate such predictions. To enable learning on large-dimensional and complex data, specific neural network architectures have been developed, including convolutional and graph neural networks. In this work, we present a novel encoder–decoder geometric deep learning framework called MAgNET, which extends the well-known convolutional neural networks to accommodate arbitrary graph-structured data. MAgNET consists of innovative Multichannel Aggregation (MAg) layers and graph pooling/unpooling layers, forming a graph U-Net architecture that is analogous to convolutional U-Nets. We demonstrate the predictive capabilities of MAgNET in surrogate modeling for non-linear finite element simulations in the mechanics of solids.

Keywords:
Geometric deep learning, Mesh based simulations, Finite element method, Graph U-Net, Surrogate modeling

Żyłka A., Dobruch-Sobczak K., Piotrzkowska-Wróblewska H. E., Jędrzejczyk M., Bakuła-Zalewska E., Góralski P., Gałczyński P., Dedecjusz M., The Utility of Contrast-Enhanced Ultrasound (CEUS) in Assessing the Risk of Malignancy in Thyroid Nodules, Cancers, ISSN: 2072-6694, DOI: 10.3390/cancers16101911, Vol.16, No.10, pp.1-23, 2024

Abstract:
Ultrasonography is a basic tool used in the evaluation of thyroid nodules, but there is no single feature of this method which predicts malignancy with statistical significance. The aim of the study is to assess the usefulness of contrast enhanced-ultrasound (CEUS) in the differential diagnosis of thyroid nodules. The highest value of the study results from the multiparameter approach to the evaluation of thyroid lesions in the light of new diagnostics methods and assessment of the unique combinations of both B-mode and CEUS features as predictors of thyroid cancers. Moreover, several qualitative contrast features predicting benign lesions were evaluated. The preliminary results indicate that CEUS is a useful tool in assessing the risk of malignancy of thyroid lesions. The combination of the qualitative enhancement parameters and B-mode sonographic features significantly increases the method’s usefulness. Further studies should be performed to introduce CEUS patterns in the diagnostic algorithm of thyroid nodules.

Keywords:
thyroid cancer, cancer screening, clinical trial, contrast-enhanced ultrasound, thyroid lesion

Kaplińska-Kłosiewicz P.M., Fura Ł., Kujawska T., Andrzejewski K., Kaczyńska K., Strzemecki D., Sulejczak M., Chrapusta S., Macias M., Sulejczak D., Study of Biological Effects Induced in Solid Tumors by Shortened-Duration Thermal Ablation Using High-Intensity Focused Ultrasound, Cancers, ISSN: 2072-6694, DOI: 10.3390/cancers16162846, Vol.16, No.2846, pp.1-23, 2024

Abstract:
The HIFU ablation technique is limited by the long duration of the procedure, which results from the large difference between the size of the HIFU beam’s focus and the tumor size. Ablation of large tumors requires treating them with a sequence of single HIFU beams, with a specific time interval in-between. The aim of this study was to evaluate the biological effects induced in a malignant solid tumor of the rat mammary gland, implanted in adult Wistar rats, during HIFU treatment according to a new ablation plan which allowed researchers to significantly shorten the duration of the procedure. We used a custom, automated, ultrasound imaging-guided HIFU ablation device. Tumors with a 1 mm thickness margin of healthy tissue were subjected to HIFU. Three days later, the animals were sacrificed, and the HIFU-treated tissues were harvested. The biological effects were studied, employing morphological, histological, immunohistochemical, and ultrastructural techniques. Massive cell death, hemorrhages, tissue loss, influx of immune cells, and induction of pro-inflammatory cytokines were observed in the HIFU-treated tumors. No damage to healthy tissues was observed in the area surrounding the safety margin. These results confirmed the efficacy of the proposed shortened duration of the HIFU ablation procedure and its potential for the treatment of solid tumors.

Keywords:
HIFU thermal ablation, breast cancer model, treatment plan, morphology, histology, ultrastructure, immune response, cell death, apoptosis, necrosis

Darban H., Luciano R., Basista M. A., Modeling frequency shifts in small-scale beams with multiple eccentric masses, Thin-Walled Structures, ISSN: 0263-8231, DOI: 10.1016/j.tws.2024.112005, Vol.201, No.Part A, pp.112005-1-112005-19, 2024

Abstract:
Studying the dynamics of small-scale beams with attached particles is crucial for sensing applications in various fields, such as bioscience, material science, energy storage devices, and environmental monitoring. Here, a stress-driven nonlocal model is presented for the free transverse vibration of small-scale beams carrying multiple masses taking into account the eccentricity of the masses relative to the beam axis. The results show excellent agreement with the experimental and numerical data in the literature. New insights into the frequency shifts and mode shapes of the first four vibrational modes of stress-driven nonlocal beams with up to three attached particles are presented. The study investigates the inverse problem of detecting the location and mass of an attached particle based on natural frequency shifts. The knowledge acquired from the present study provides valuable guidance for the design and analysis of ultrasensitive mechanical mass sensors.

Keywords:
Size effect, Mass sensor, Micro- and nanobeam, Nonlocal, Inverse problem

Kopeć M., Digital image correlation approach for low-cycle fatigue life monitoring of 13HMF power engineering steel, Optics and Lasers in Engineering, ISSN: 0143-8166, DOI: https://doi.org/10.1016/j.optlaseng.2024.108448, Vol.181, No.108448, pp.1-10, 2024

Abstract:
In this paper, strain evolution of 13HMF power engineering steel was analysed during force-controlled low cycle fatigue (LCF). The material performance under cyclic loading was monitored by using Digital Image Correlation (DIC) technique for different values of stress amplitude exceeding the yield strength of the material significantly. Data collected from DIC was compared to the extensometer ones to confirm the effectiveness of the proposed approach. Finally, the cloud data reflecting the fatigue performance of 13HMF was generated in the form of strain-stress amplitude - service life distribution map.

Keywords:
Fatigue,Mechanical properties,Strain analysis

Nwaji N., Fikadu B., Osial M., Moazzami Goudarzi Z., Asgaran S., Teshome Tufa L., Lee J., Giersig M., Disentangling the catalytic origin in defect engineered 2D NiCoMoS@Ni(CN)2 core-shell heterostructure for energy-saving hydrazine-assisted water oxidation, International Journal of Hydrogen Energy, ISSN: 0360-3199, DOI: 10.1016/j.ijhydene.2024.08.432, Vol.86, pp.554-563, 2024

Abstract:
The major hindrance to efficient electrocatalytic hydrogen generation from water electrolysis is the sluggish kinetics with corresponding large overvoltage of oxygen evolution reaction. Herein, we report a defective 2D NiCoMoS@Ni(CN)2 core-shell heterostructure derived from Hofmann-type MOF as an efficient and durable high-performance noble metal-free electrocatalyst for hydrazine oxidation reaction (HzOR) in alkaline media. The sluggish oxygen evolution reaction was replaced with a more thermodynamically favourable HzOR, enabling energy-saving electrochemical hydrogen production with 2D NiCoMoS@Ni(CN)2 acting as a bifunctional electrocatalyst for anodic HzOR and cathodic hydrogen generation. Operating at room temperature, the two-electrode electrolyzer delivers 100 mA cm−2 from a cell voltage of just 257 mV, with strong long-term electrochemical durability and nearly 100% Faradaic efficiency for hydrogen evolution in 1.0 M KOH aqueous solution with 0.5 M hydrazine. The density functional theory (DFT) was employed to investigate the origin of catalytic performance and showed that high vacancy creation within the heterointerface endowed NiCoMoS@Ni(CN)2 with favourable functionalities for excellent catalytic performance.

Keywords:
Defect engineering, Core-shell, Electrocatalyst, Hydrazine oxidation, Heterostructure

Moazzami Goudarzi Z., Zaszczyńska A., Kowalczyk T., Sajkiewicz P.Ł., Electrospun Antimicrobial Drug Delivery Systems and Hydrogels Used for Wound Dressings, Pharmaceutics, ISSN: 1999-4923, DOI: 10.3390/pharmaceutics16010093, Vol.16, No.1, pp.93-1-27, 2024

Abstract:
Wounds and chronic wounds can be caused by bacterial infections and lead to discomfort in patients. To solve this problem, scientists are working to create modern wound dressings with antibacterial additives, mainly because traditional materials cannot meet the general requirements for complex wounds and cannot promote wound healing. This demand is met by material engineering, through which we can create electrospun wound dressings. Electrospun wound dressings, as well as those based on hydrogels with incorporated antibacterial compounds, can meet these requirements. This manuscript reviews recent materials used as wound dressings, discussing their formation, application, and functionalization. The focus is on presenting dressings based on electrospun materials and hydrogels. In contrast, recent advancements in wound care have highlighted the potential of thermoresponsive hydrogels as dynamic and antibacterial wound dressings. These hydrogels contain adaptable polymers that offer targeted drug delivery and show promise in managing various wound types while addressing bacterial infections. In this way, the article is intended to serve as a compendium of knowledge for researchers, medical practitioners, and biomaterials engineers, providing up-to-date information on the state of the art, possibilities of innovative solutions, and potential challenges in the area of materials used in dressings.

Keywords:
wound dressings, drug delivery systems, thermoresponsive hydrogels

Słowicka A.M., Xue N., Liu L., Nunes J.K., Sznajder P., Stone H.A., Ekiel-Jeżewska M.L., Highly elastic fibers in a shear flow can form double helices, NEW JOURNAL OF PHYSICS, ISSN: 1367-2630, DOI: 10.1088/1367-2630/ad56c0, Vol.26, pp.073011-1-18, 2024

Abstract:
The long-time behavior of highly elastic fibers in a shear flow is investigated experimentally and numerically. Characteristic attractors of the dynamics are found. It is shown that for a small ratio of bending to hydrodynamic forces, most fibers form a spinning elongated double helix, performing an effective Jeffery orbit very close to the vorticity direction. Recognition of these oriented shapes, and how they form in time, may prove useful in the future for understanding the time history of complex microstructures in fluid flows and considering processing steps for their synthesis.

Keywords:
Stokes equations, shear flow, elastic fibers

Haghighat Bayan M.A., Rinoldi C., Rybak D., Zargarian S.S., Zakrzewska A., Miler O., Põhako-Palu K., Zhang S., Stobnicka-Kupiec A., Górny Rafał L., Nakielski P., Kogermann K., De Sio L., Ding B., Pierini F., Engineering surgical face masks with photothermal and photodynamic plasmonic nanostructures for enhancing filtration and on-demand pathogen eradication, Biomaterials Science, ISSN: 2047-4849, DOI: 10.1039/d3bm01125a, Vol.12, No.4, pp.949-963, 2024

Abstract:
The shortage of face masks and the lack of antipathogenic functions has been significant since the recent pandemic's inception. Moreover, the disposal of an enormous number of contaminated face masks not only carries a significant environmental impact but also escalates the risk of cross-contamination. This study proposes a strategy to upgrade available surgical masks into antibacterial masks with enhanced particle and bacterial filtration. Plasmonic nanoparticles can provide photodynamic and photothermal functionalities for surgical masks. For this purpose, gold nanorods act as on-demand agents to eliminate pathogens on the surface of the masks upon near-infrared light irradiation. Additionally, the modified masks are furnished with polymer electrospun nanofibrous layers. These electrospun layers can enhance the particle and bacterial filtration efficiency, not at the cost of the pressure drop of the mask. Consequently, fabricating these prototype masks could be a practical approach to upgrading the available masks to alleviate the environmental toll of disposable face masks.

Fathalian M., Postek E. W., Tahani M., Sadowski T., A Comprehensive Study of Al2O3 Mechanical Behavior Using Density Functional Theory and Molecular Dynamics, Molecules, ISSN: 1420-3049, DOI: 10.3390/molecules29051165, Vol.29, pp.1165-1165-18, 2024

Abstract:
This study comprehensively investigates Al2O3’s mechanical properties, focusing on fracture toughness, surface energy, Young’s modulus, and crack propagation. The density functional
theory (DFT) is employed to model the vacancies in Al2O3, providing essential insights into this material’s structural stability and defect formation. The DFT simulations reveal a deep understanding of vacancy-related properties and their impact on mechanical behavior. In conjunction with molecular dynamics (MD) simulations, the fracture toughness and crack propagation in Al2O3 are explored, offering valuable information on material strength and durability. The surface energy of Al2O3 is also assessed using DFT, shedding light on its interactions with the surrounding environment.
The results of this investigation highlight the significant impact of oxygen vacancies on mechanical characteristics such as ultimate strength and fracture toughness, drawing comparisons with the effects observed in the presence of aluminum vacancies. Additionally, the research underscores the validation of fracture toughness outcomes derived from both DFT and MD simulations, which align well with findings from established experimental studies. Additionally, the research underscores the validation of fracture toughness outcomes derived from DFT and MD simulations, aligning well with findings from established experimental studies. The combination of DFT and MD simulations provides a robust framework for a comprehensive understanding of Al2O3’s mechanical properties, with implications for material science and engineering applications.

Keywords:
Al2O3, fracture toughness, density functional theory, molecular dynamics

Fathalian M., Postek E. W., Tahani M., Sadowski T., Effect of Diffusion on the Ultimate Axial Load of Complex-Shaped Al-SiC Samples: A Molecular Dynamics Study, Molecules, ISSN: 1420-3049, DOI: 10.3390/molecules29143343, Vol.29, No.14, pp.3343-1-3343-20, 2024

Abstract:
Metal matrix composites (MMCs) combine metal with ceramic reinforcement, offering high strength, stiffness, corrosion resistance, and low weight for diverse applications. Al-SiC, a common MMC, consists of an aluminum matrix reinforced with silicon carbide, making it ideal for the aerospace and automotive industries. In this work, molecular dynamics simulations are performed to investigate the mechanical properties of the complex-shaped models of Al-SiC. Three different volume fractions of SiC particles, precisely 10%, 15%, and 25%, are investigated in a composite under uniaxial tensile loading. The tensile behavior of Al-SiC composites is evaluated under two loading directions, considering both cases with and without diffusion effects. The results show that diffusion increases the ultimate tensile strength of the Al-SiC composite, particularly for the 15% SiC volume fraction. Regarding the shape of the SiC particles considered in this research, the strength of the composite varies in different directions. Specifically, the ultimate strength of the Al-SiC composite with 25% SiC reached 11.29 GPa in one direction, and 6.63 GPa in another, demonstrating the material’s anisotropic mechanical behavior when diffusion effects are considered. Young’s modulus shows negligible change in the presence of diffusion. Furthermore, diffusion improves toughness in Al-SiC composites, resulting in higher values compared to those without diffusion, as evidenced by the 25% SiC volume fraction composite (2.086 GPa) versus 15% (0.863 GPa) and 10% (1.296 GPa) SiC volume fractions.

Keywords:
Molecular dynamics, Al-SiC composites, Diffusion, SiC particle

Nisar F., Rojek J., Nosewicz S., Kaszyca K., Chmielewski M., Evaluation of effective thermal conductivity of sintered porous materials using an improved discrete element model, POWDER TECHNOLOGY, ISSN: 0032-5910, DOI: 10.1016/j.powtec.2024.119546, Vol.437, pp.119546, 2024

Abstract:
This work aims to revise and apply an original discrete element model (DEM) to evaluate effective thermal conductivity of sintered porous materials. The model, based on two-particle sintering geometry, calculates inter-particle neck using Constant Volume (CV) criterion. The model was validated using experimental measurements on sintered porous NiAl. For DEM simulations, heterogeneous samples with real particle size distribution and different densities were obtained by simulation of hot pressing. Neck size evaluated using Coble’s and CV models were compared to show that commonly used Coble’s model overestimates neck size and conductivity. The proposed model was improved by neck-size correction to compensate for non-physical overlaps at higher densities and by adding grain-boundary resistance to account for porosity within necks. Resistance contribution from grain boundaries was shown to decrease with increasing density. Thermal conductivity obtained from the improved model was close to experimental results, suggesting validity of the model.

Keywords:
Discrete element method,Effective thermal conductivity,Porous materials,Sintering,Heat conduction simulation

Nwaji N., Fikadu B., Osial M., Gicha B.B., Warczak M., Fan H., Lee J., Giersig M., Atomically dispersed ruthenium in transition metal double layered hydroxide as a bifunctional catalyst for overall water splitting, RENEWABLE ENERGY, ISSN: 0960-1481, DOI: 10.1016/j.renene.2024.121307, Vol.235, pp.1-10, 2024

Abstract:
Efficient and sustainable energy conversion depends on the rational design of single-atom catalysts. The control of the active sites at the atomic level is vital for electrocatalytic materials in alkaline and acidic electrolytes. Moreover, fabrication of effective catalysts with a well-defined surface structure results in an in-depth understanding of the catalytic mechanism. Herein, a single atom ruthenium dispersed in nickel-cobalt layered hydroxide (Ru-NiCo LDH) is reported. Through the precise controlling of the atomic dispersion and local coordination environment, Ru-NiCo LDH//Ru-NiCo LDH provides an ultra-low overpotential of 1.45 mV at 10 mA cm−2 for the overall water splitting, which surpasses that of the state-of-the-art Pt/C/RuO2 redox couple. Density functional theory calculations show that Ru-NiCo LDH optimizes hydrogen evolution intermediate adsorption energies and promotes O-O coupling at a Ru-O active site for oxygen evolution, while Ni serves as the water dissociation site for effective water splitting. As a potential model, Ru-NiCo LDH shows enhanced water splitting performance with potential for the development of promising water-alkaline catalysts.

Huang T., Ayuningtyas Y., Wang C., Krajewski M., Lin J., Polyvinylpyrrolidone-assisted sol–gel synthesis of efficient Li2TiSiO5/C composite anodes for Li-Ion batteries, APPLIED SURFACE SCIENCE, ISSN: 0169-4332, DOI: 10.1016/j.apsusc.2024.160914, Vol.676, No.160914, pp.1-8, 2024

Abstract:
This study presents the process of developing an effective anode material for lithium-ion batteries (LIBs) by usage of Li2TiSiO5 coated with a thin layer of carbon (LTSO/C). The material was prepared through a sol–gel method, where varying amounts of polyvinylpyrrolidone (PVP) were used as a carbon source during the synthesis process. The physicochemical analysis of the LTSO/C samples indicates that as the amount of PVP used during sol–gel synthesis increases, the particle diameter of LTSO decreases. Furthermore, the analysis shows that a thin amorphous carbon layer is deposited on the LTSO surfaces, along with additional carbon networks between the LTSO particles. Based on the electrochemical analysis conducted to optimize the amount of PVP during synthesis, the resulting LTSO/C composite electrode synthesized with 1 g of PVP exhibits a specific capacity of 274.5 mAh·g−1 at 0.1C after 150 cycles, which is quite close to the theoretical capacity. In addition, this LTSO/C electrode demonstrates exceptional electrochemical performance when operated at high rates, surpassing a discharge capacity of 170 mAh g−1 up to 2C. Therefore, the LTSO/C is an excellent choice for high-performance anode material in LIBs.

Keywords:
Li2TiSiO5, Carbon layer, Polyvinylpyrrolidone, Anode material, Lithium-ion batteries, Sol–gel synthesis

Fura Ł., Tymkiewicz R., Kujawska T., Numerical studies on shortening the duration of HIFU ablation therapy and their experimental validation, Ultrasonics, ISSN: 0041-624X, DOI: 10.1016/j.ultras.2024.107371, Vol.142, No.107371, pp.1-15, 2024

Abstract:
High Intensity Focused Ultrasound (HIFU) is used in clinical practice for thermal ablation of malignant and benign solid tumors located in various organs. One of the reason limiting the wider use of this technology is the long treatment time resulting from i.a. the large difference between the size of the focal volume of the heating beam and the size of the tumor. Therefore, the treatment of large tumors requires scanning their volume with a sequence of single heating beams, the focus of which is moved in the focal plane along a specific trajectory with specific time and distance interval between sonications. To avoid an undesirable increase in the temperature of healthy tissues surrounding the tumor during scanning, the acoustic power and exposure time of each HIFU beam as well as the time intervals between sonications should be selected in such a way as to cover the entire volume of the tumor with necrosis as quickly as possible. This would reduce the costs of treatment. The aim of this study was to quantitatively evaluate the hypothesis that selecting the average acoustic power and exposure time for each individual heating beam, as well as the temporal intervals between sonications, can significantly shorten treatment time. Using 3D numerical simulations, the dependence of the duration of treatment of a tumor with a diameter of 5 mm or 9 mm (requiring multiple exposure to the HIFU beam) on the sonication parameters (acoustic power, exposure time) of each single beam capable of delivering the threshold thermal dose (CEM43 = 240 min) to the treated tissue volume was examined. The treatment duration was determined as the sum of exposure times to individual beams and time intervals between sonications. The tumor was located inside the ex vivo tissue sample at a depth of 12.6 mm. The thickness of the water layer between the HIFU transducer and the tissue was 50 mm. The sonication and scanning parameters selected using the developed algorithm shortened the duration of the ablation procedure by almost 14 times for a 5-mm tumor and 20 times for a 9-mm tumor compared to the duration of the same ablation plan when a HIFU beam was used of a constant acoustic power, constant exposure time (3 s) and constant long time intervals (120 s) between sonications. Results of calculations of the location and size of the necrotic lesion formed were experimentally verified on ex vivo pork loin samples, showing good agreement between them. In this way, it was proven that the proper selection of sonication and scanning parameters for each HIFU beam allows to significantly shorten the time of HIFU therapy.

Keywords:
HIFU ablation planning,HIFU therapy duration shortening,Tissue ex vivo,k-wave model,Experimental verification of therapy accuracy,Numerical simulation

Kowalczyk-Gajewska K., Maj M., Bieniek K., Majewski M., Opiela K.C., Zieliński T.G., Cubic elasticity of porous materials produced by additive manufacturing: experimental analyses, numerical and mean-field modelling, ARCHIVES OF CIVIL AND MECHANICAL ENGINEERING, ISSN: 1644-9665, DOI: 10.1007/s43452-023-00843-z, Vol.24, pp.34-1-34-22, 2024

Abstract:
Although the elastic properties of porous materials depend mainly on the volume fraction of pores, the details of pore distribution within the material representative volume are also important and may be the subject of optimisation. To study their effect, experimental analyses were performed on samples made of a polymer material with a predefined distribution of spherical voids, but with various porosities due to different pore sizes. Three types of pore distribution with cubic symmetry were considered and the results of experimental analyses were confronted with mean-field estimates and numerical calculations. The mean-field ‘cluster’ model is used in which the mutual interactions between each of the two pores in the predefined volume are considered. As a result, the geometry of pore distribution is reflected in the anisotropic effective properties. The samples were produced using a 3D printing technique and tested in the regime of small strain to assess the elastic stiffness. The digital image correlation method was used to measure material response under compression. As a reference, the solid samples were also 3D printed and tested to evaluate the polymer matrix stiffness. The anisotropy of the elastic response of porous samples related to the arrangement of voids was assessed. Young’s moduli measured for the additively manufactured samples complied satisfactorily with modelling predictions for low and moderate pore sizes, while only qualitatively for larger porosities. Thus, the low-cost additive manufacturing techniques may be considered rather as preliminary tools to prototype porous materials and test mean-field approaches, while for the quantitative and detailed model validation, more accurate additive printing techniques should be considered. Research paves the way for using these computationally efficient models in optimising the microstructure of heterogeneous materials and composites.

Keywords:
Pore configuration, Anisotropy, Elasticity, Micro-mechanics, Additive manufacturing

Nowak M., Szeptyński P., Musiał S., Maj M., Sub‑global equilibrium method for identifcation of elastic parameters based on digital image correlation results, ARCHIVES OF CIVIL AND MECHANICAL ENGINEERING, ISSN: 1644-9665, DOI: 10.1007/s43452-024-00979-6, Vol.24, pp.169-190, 2024

Abstract:
In this work, a new, simple method is presented, which enables identifcation of material properties of solids basing on the digital image correlation (DIC) measurements. It may be considered as a simplifed alternative of low computational complexity for the well-known fnite element model updating (FEMU) method and virtual felds method (VFM). The idea of the introduced sub-global equilibrium (SGE) method is to utilize the fundamental concept and defnition of internal forces and its equilibrium with appropriate set of external forces. This makes the method universal for the use in the description of a great variety of continua. The objective function is the measure of imbalance, namely the sum of squares of residua of equilibrium equations of external forces and internal forces determined for fnite-sized part of the sample. It is then minimized with the use of the Nelder–Mead downhill simplex algorithm. The efciency of the proposed SGE method is shown for two types of materials: 310 S austenitic steel and carbon-fber-reinforced polymer (CFRP). The proposed method was also verifed based on FE analysis showing error estimation.

Keywords:
Identifcation of material constant,Digital image correlation,Nelder–Mead downhill simplex algorithm,Finite element analysis,Optimization,Linear elasticity

Psiuk R., Chrzanowska-Giżyńska J., Denis P., Wyszkowska E., Wiśniewska M., Lipińska M., Wojtiuk E., Kurpaska Ł., Smolik J., Mościcki T. P., Microstructural and properties investigations of tantalum-doped tungsten diboride ceramic coatings via HiPIMS and RF magnetron sputtering, ARCHIVES OF CIVIL AND MECHANICAL ENGINEERING, ISSN: 1644-9665, DOI: 10.1007/s43452-024-01050-0, Vol.24, No.239, pp.1-16, 2024

Abstract:
In this work, tantalum-doped tungsten boride ceramic coatings were deposited from a single sputtering target with the radio frequency (RF) and high-power impulse magnetron sputtering (HiPIMS) methods. Two-inch torus targets were synthesised from pure elements with the spark plasma sintering (SPS) method with a stoichiometric composition of W1-xTaxB2.5 (x = 0, 0.08, 0.16, 0.24). Films were deposited with RF and HiPIMS power suppliers at process temperatures from RT to 600 °C. The substrate heating and the energy of the ionised material impacting the substrate increase the surface diffusivity of adatoms and are crucial in the deposition process. The results of SEM and XRD investigations clearly show that the addition of tantalum also changes the microstructure of the deposited films. The coatings without tantalum possess a finer microstructure than those with 24% of tantalum. The structure of films is homogeneous along the film thickness and composed mainly of columns with a (0001) preferred orientation. Deposited coatings are composed mainly of P6/mmm α-WB2 structures. The analysis of nanoindentation results allowed us to determine that ceramic coatings obtained with the HiPIMS method possess hardness above 41 GPa and a ratio of hardness to reduced Young modulus above 0.1. The thickness of HiPIMS-deposited films is relatively small: only around 60% of the RF magnetron sputtered coatings even when the average power input was two times higher. However, it has been shown that the RF coatings require heating the substrate above 400 °C to obtain a crystalline structure, while the HiPIMS method allows for a reduction of the substrate temperature to 300 °C.

Keywords:
RF magnetron sputtering, HiPIMS magnetron sputtering, Superhard ceramic coatings, Transition metal borides, Deposition temperature

Witecka A., Pietrzyk-Thel P., Krajewski M., Sobczak K., Wolska A., Jain A., Preparation of activated carbon/iron oxide/chitosan electrodes for symmetric supercapacitor using electrophoretic deposition: A facile, fast and sustainable approach, JOURNAL OF ALLOYS AND COMPOUNDS, ISSN: 0925-8388, DOI: 10.1016/j.jallcom.2024.174040, Vol.985, No.174040, pp.1-15, 2024

Abstract:
In this research, electrophoretic deposition (EPD) was employed to prepare a porous composite film (ACF electrode) consisting of 90 wt% activated carbon particles, 10 wt% iron oxide nanoparticles, and a chitosan as binder in a facile, fast, and sustainable manner. This micro-mesoporous composite film, with a thickness of ∼45 µm and a surface area of ∼208.1 m2g−1, was coated on a stainless steel substrate. The SEM and TEM investigations proved the homogeneous distribution of carbon microparticles and iron oxide nanoparticles in the deposit, while the EDX, XRD, Raman spectroscopy, and XPS confirmed the chemical composition. ACF electrodes were also used in a symmetric two-electrode cell configuration with a sandwiched gel polymer electrolyte - PVdF(HFP)-PC-Mg(ClO4)2 and revealed a specific capacitance of ∼54.4 F g−1, along with satisfactory energy and power density of ∼4.7 Wh kg−1 and 1.2 kW kg−1, respectively, and excellent electrochemical stability up to ∼10,000 cycles (with merely 8.5% decay by the 5000th cycle). Obtained results confirmed the stability of the used system and its possible application in the field of energy storage and conversion.

Levintant-Zayonts N., Starzyński G., Kucharski S. J., Constituting and Investigation of Ion-Implanted Protective Layer on NiTi Alloy for Mechanical and Tribological Applications, Journal of Tribology, ISSN: 0742-4787, DOI: 10.1115/1.4066204, Vol.147, No.011401, pp.1-13, 2024

Abstract:
NiTi exhibits an excellent wear resistance, which can be further enhanced by ion implantation. However, there are some limitations to the implantation effects: only a thin layer of about 100 nm can be created. In this paper, the effect of nitrogen ion implantation on the NiTi wear response is investigated. The different loads and durations of tests are taken into account to show that the implanted layer has the most beneficial effect only in a certain range of contact pressure. It was found that the wear volume changes in a nonlinear manner with respect to the load and sliding length, for both non- and implanted samples. For the latter, two distinct stages can be distinguished in the wear process: an initial stage characterized by a low wear-rate and a low coefficient of friction, and a second stage in which the wear-rate drastically increases. The duration of the first stage is longer for lower loads. This specific behavior is explained by differences in the hardness distribution, energy dissipation due to the normal load, and differences in the microstructure of the wear tracks. Our results show that the lifetime of NiTi can be improved by ion implantation, thus boding well for applications in harsh environments.

Keywords:
ion implantation, NiTi shape memory alloy, sliding wear, pseudoelasticity, abrasion, dry friction, surface treatments

Witecka A., Schmitt J., Courtien M., Gerardin C., Rydzek G., Hybrid mesoporous silica materials templated with surfactant polyion complex (SPIC) micelles for pH-triggered drug release, Microporous and Mesoporous Materials, ISSN: 1387-1811, DOI: 10.1016/j.micromeso.2023.112913, Vol.365, No.112913, pp.1-13, 2024

Abstract:
New Surfactant PolyIon Complex (SPIC) micelles were assembled by electrostatic complexation of an antibacterial cationic surfactant, cetylpyridinium chloride (CPC), and a double hydrophilic block copolymer (DHBC) containing a neutral comb block of poly(oligo(ethylene glycol)) methyl ether acrylate (PEOGA) and a weak polyacid block of poly(acrylic acid) (PAA). The corresponding SPIC micelles, with a CPC/PAA core and a PEOGA corona, were successfully used as structure directing and functionalizing agents in a soft and sustainable sol-gel strategy, yielding hybrid mesoporous silica (MS) materials with a monomodal pore size distribution centred at 2.8 nm. The influence of synthesis parameters, including the pH, concentrations and ratios of components, was systematically investigated. The obtained hybrid MS materials were intrinsically functional, with PEOGA blocks anchored in silica walls via H-bonding, while weak polyacid blocks, complexed with CPC, were confined within the mesopores. The response of the materials to pH changes (pH 7.4, 4.2 and 3) indicated remarkable stability of the anchored DHBC, while CPC was selectively released under the acidic conditions typical of orodental biofilm microenvironments. This result is noteworthy, since the release of encapsulated amphiphilic drugs into water is less favorable than that of hydrophilic drugs. Owing to the control of their pore and functionality properties, ordered hybrid silica materials templated and functionalized with SPIC systems will be materials of choice for developing pH-responsive biomedical devices using wet processing techniques

Keywords:
Double hydrophilic block copolymer, Cooperative self-assembly, Surfactant-polyion complex micelle, Stimuli-responsive nanomaterials, Sustainable, Sol-gel synthesis

Ciurans-Oset M., Flasar P., Jenczyk P., Jarząbek D. M., Mouzon J., Akhtar F., Role of the microstructure and the residual strains on the mechanical properties of cast tungsten carbide produced by different methods, Journal of Materials Research and Technology, ISSN: 2238-7854, DOI: 10.1016/j.jmrt.2024.04.067, Vol.30, pp.3640-3649, 2024

Abstract:
Cast tungsten carbide (CTC) is a biphasic, pearlitic-like structure composed of WC lamellae in a matrix of W2C. Besides excellent flowability, spherical CTC powders exhibit superior hardness and wear resistance. Nevertheless, the available literature generally fails to explain the physical mechanisms behind such a phenomenon. In the present work, the microstructure and the mechanical properties of the novel centrifugally-atomized spherical CTC have been extensively investigated. This material exhibited an extremely fine microstructure, with WC lamellae of 27–29 nm in thickness and bulk lattice strains of 1.0–1.4 %, resulting in a microindentation hardness of 31.4 ± 1.6 GPa. The results of this study clearly show that centrifugally-atomized CTC is mechanically superior to both spheroidized CTC and conventional cast-and-crushed CTC. In addition, the effect of a series of heat treatments on the bulk fracture toughness and the fatigue life of entire CTC particles was also investigated. The reduction of residual stresses in the bulk of particles upon annealing dramatically increased the indentation fracture toughness, whereas the bulk microindentation hardness remained essentially unaffected. Regarding the fatigue life of entire particles under uniaxial cyclic compressive loading, local phase transformation phenomena at the surface of the particles upon heat treatment were concluded to play the most critical role. Indeed, the cumulative fatigue damage was minimized in surface-carburized CTC powders, where compressive stresses were induced at the outermost surface.

Keywords:
Cast tungsten carbide, Microindentation hardness, X-ray diffraction, Lattice microstrains, Dislocation density, Compression

Liu L., Sznajder P., Ekiel-Jeżewska M.L., Spectral analysis for elastica dynamics in a shear flow, Physical Review Fluids, ISSN: 2469-990X, DOI: 10.1103/PhysRevFluids.9.014101, Vol.9, No.1, pp.014101-1-12, 2024

Abstract:
We present the spectral analysis of three-dimensional dynamics of an elastic filament in a shear flow of a viscous fluid at a low Reynolds number in the absence of Brownian motion. The elastica model is used. The fiber initially is almost straight at an arbitrary orientation, with small perpendicular perturbations in the shear plane and out-of-plane. To analyze the stability of both perturbations, equations for the eigenvalues and eigenfunctions are derived and solved by the Chebyshev spectral collocation method. It is shown that their crucial features are the same as in the case of the two-dimensional elastica dynamics in shear flow [Becker and Shelley, Phys. Rev. Lett. 87, 198301 (2001)] and the three-dimensional elastica dynamics in the compressional flow [Chakrabarti et al., Nat. Phys. 16, 689 (2020)]. We find a similar dependence of the buckled shapes on the ratio of bending to hydrodynamic forces as in the simulations for elastic fibers of a nonzero thickness [Słowicka et al., New J. Phys. 24, 013013 (2022)].

Bandzerewicz A., Howis J., Wierzchowski K., Miroslav S., Jiri H., Denis P., Gołofit T., Pilarek M., Gadomska-Gajadhur A., Exploring the application of poly(1,2-ethanediol citrate)/polylactide nonwovens in cell culturing, Frontiers in Bioengineering and Biotechnology, ISSN: 2296-4185, DOI: 10.3389/fbioe.2024.1332290, Vol.12, pp.1-13, 2024

Abstract:
Biomaterials containing citric acid as a building unit show potential for use as blood vessel and skin tissue substitutes. The success in commercializing implants containing a polymer matrix of poly(1,8-octanediol citrate) provides a rationale for exploring polycitrates based on other diols. Changing the aliphatic chain length of the diol allows functional design strategies to control the implant’s mechanical properties, degradation profile and surface energy. In the present work, poly(1,2-ethanediol citrate) was synthesized and used as an additive to polylactide in the electrospinning process. It was established that the content of polycitrate greatly influences the nonwovens’ properties: an equal mass ratio of polymers resulted in the best morphology. The obtained nonwovens were characterized by surface hydrophilicity, tensile strength, and thermal properties. L929 cell cultures were carried out on their surface. The materials were found to be non-cytotoxic and the degree of porosity was suitable for cell colonization. On the basis of the most important parameters for assessing the condition of cultured cells (cell density and viability, cell metabolic activity and lactate dehydrogenase activity), the potential of PLLA + PECit nonwovens for application in tissue engineering was established.

Medrano-Cerano Jorge L., Cofas Vargas Luis F.F., Leyva E., Rauda-Ceja Jesús A., Calderón-Vargas M., Cano-Sánchez P., Titaux-Delgado G., Melchor-Meneses Carolina M., Hernández-Arana A., del Rio-Portilla F., García-Hernandez E., Decoding the mechanism governing the structural stability of wheat germ agglutinin and its isolated domains: A combined calorimetric, NMR, and MD simulation study, Protein Science, ISSN: 0961-8368, DOI: 10.1002/pro.5020, Vol.33, No.6, pp.e5020-1-15, 2024

Abstract:
Wheat germ agglutinin (WGA) demonstrates potential as an oral delivery agent owing to its selective binding to carbohydrates and its capacity to traverse biological membranes. In this study, we employed differential scanning calorimetry and molecular dynamics simulations to comprehensively characterize the thermal unfolding process of both the complete lectin and its four isolated domains. Furthermore, we present the nuclear magnetic resonance structures of three domains that were previously lacking experimental structures in their isolated forms. Our results provide a collective understanding of the energetic and structural factors governing the intricate unfolding mechanism of the complete agglutinin, shedding light on the specific role played by each domain in this process. The analysis revealed negligible interdomain cooperativity, highlighting instead significant coupling between dimer dissociation and the unfolding of the more labile domains. By comparing the dominant interactions, we rationalized the stability differences among the domains. Understanding the structural stability of WGA opens avenues for enhanced drug delivery strategies, underscoring its potential as a promising carrier throughout the gastrointestinal environment.

Keywords:
homodimer,hydrogen bonding,lectin,multidomain protein,structural stability,thermal unfolding

Feltham L., Moran J., Goldrick M., Lord E., Spiller D. G., Cavet J. S., Muldoon M., Roberts I. S., Paszek P., Bacterial aggregation facilitates internalin-mediated invasion of Listeria monocytogenes, Frontiers in Cellular and Infection Microbiology, ISSN: 2235-2988, DOI: 10.3389/fcimb.2024.1411124, Vol.14, pp.1411124-01-18, 2024

Abstract:
Dissemination of food-borne L. monocytogenes in the host relies on internalin-mediated invasion, but the underlying invasion strategies remain elusive. Here we use live-cell microscopy to follow single cell interactions between individual human cells and L. monocytogenes and elucidate mechanisms associated with internalin B (InlB)-mediated invasion. We demonstrate that whilst a replicative invasion of nonphagocytic cells is a rare event even at high multiplicities of invasion, L. monocytogenes overcomes this by utilising a strategy relaying on PrfA-mediated ActA-based aggregation. We show that L. monocytogenes forms aggregates in extracellular host cell environment, which promote approximately 5-fold more host cell adhesions than the non-aggregating actA-ΔC mutant (which lacks the C-terminus coding region), with the adhering bacteria inducing 3-fold more intracellular invasions. Aggregation is associated with robust MET tyrosine kinase receptor clustering in the host cells, a hallmark of InlB-mediated invasion, something not observed with the actA-ΔC mutant. Finally, we show via RNA-seq analyses that aggregation involves a global adaptive response to host cell environment (including iron depletion), resulting in metabolic changes in L. monocytogenes and upregulation of the PrfA virulence regulon. Overall, our analyses provide new mechanistic insights into internalin-mediated host-pathogen interactions of L. monocytogenes.

Keywords:
Listeria monocytogenes, host-pathogen interactions, aggregation, PrfA regulon, livecell microscopy

Scalici M., Naseri M., Streltsov A., Coherence Generation with Hamiltonians, Quantum Information and Computation, ISSN: 1533-7146, Vol.24, No.7-8, pp.565-575, 2024

Abstract:
We explore methods to generate quantum coherence through unitary evolutions, by introducing and studying the coherence generating capacity of Hamiltonians. This quantity is defined as the maximum derivative of coherence that can be achieved by a Hamiltonian. By adopting the relative entropy of coherence as our figure of merit, we evaluate the maximal coherence generating capacity with the constraint of a bounded Hilbert- Schmidt norm for the Hamiltonian. Our investigation yields closed-form expressions for both Hamiltonians and quantum states that induce the maximal derivative of coherence under these conditions. Specifically, for qubit systems, we solve this problem comprehensively for any given Hamiltonian, identifying the quantum states that lead to the largest coherence derivative induced by the Hamiltonian. Our investigation enables a precise identification of conditions under which quantum coherence is optimally enhanced, offering valuable insights for the manipulation and control of quantum coherence in quantum systems.

Keywords:
Resource Generation, Quantum Coherence, Quantum Control

Haghighat Bayan M.A., Rinoldi C., Kosik-Kozioł A., Bartolewska M., Rybak D., Zargarian S., Shah S., Krysiak Z., Zhang S., Lanzi M., Nakielski P., Ding B., Pierini F., Solar-to-NIR Light Activable PHBV/ICG Nanofiber-Based Face Masks with On-Demand Combined Photothermal and Photodynamic Antibacterial Properties, Advanced Materials Technologies, ISSN: 2365-709X, DOI: 10.1002/admt.202400450, pp.2400450-1-18, 2024

Abstract:
Hierarchical nanostructures fabricate by electrospinning in combination with light-responsive agents offer promising scenarios for developing novel activable antibacterial interfaces. This study introduces an innovative antibacterial face mask developed from poly(3-hydroxybutyrate-co-3-hydroxyvalerate) (PHBV) nanofibers integrated with indocyanine green (ICG), targeting the urgent need for effective antimicrobial protection for community health workers. The research focuses on fabricating and characterizing this nanofibrous material, evaluating the mask's mechanical and chemical properties, investigating its particle filtration, and assessing antibacterial efficacy under photothermal conditions for reactive oxygen species (ROS) generation. The PHBV/ICG nanofibers are produced using an electrospinning process, and the nanofibrous construct's morphology, structure, and photothermal response are investigated. The antibacterial efficacy of the nanofibers is tested, and substantial bacterial inactivation under both near-infrared (NIR) and solar irradiation is demonstrated due to the photothermal response of the nanofibers. The material's photothermal response is further analyzed under cyclic irradiation to simulate real-world conditions, confirming its durability and consistency. This study highlights the synergistic impact of PHBV and ICG in enhancing antibacterial activity, presenting a biocompatible and environmentally friendly solution. These findings offer a promising path for developing innovative face masks that contribute significantly to the field of antibacterial materials and solve critical public health challenges.

Kadier A., Akkaya G.K., Singh R., Niza N.M., Parkash A., Achagri G., Bhagawati P.B., Asaithambi P., Al-Qodah Z., Almanaseer N., Osial M., Olusegun S.J., Pręgowska A., López-Maldonado E.A., Micro and nano-sized bubbles for sanitation and water reuse: from fundamentals to application, Frontiers of Environmental Science & Engineering, ISSN: 2296-665X, DOI: 10.1007/s11783-024-1907-1, Vol.18, No.12, pp.1-26, 2024

Abstract:
The global scarcity of drinking water is an emerging problem associated with increasing pollution with many chemicals from industry and rapid microbial growth in aquatic systems. Despite the wide availability of conventional water and wastewater treatment methods, many limitations and challenges exist to overcome. Applying technology based on microbubbles (MBs) and nano-bubbles (NBs) offers ecological, fast, and cost-effective water treatment. All due to the high stability and long lifetime of the bubbles in the water, high gas transfer efficiency, free radical generation capacity, and large specific surface areas with interface potential of generated bubbles. MBs and NBs-based technology are attractive solutions in various application areas to improve existing water and wastewater treatment processes including industrial processes. In this paper, recent progress in NBs and MBs technology in water purification and wastewater treatment along with fundamentals, application, challenges, and future research were comperhensively discussed.

Keywords:
Nanobubbles, Microbubbles, MNB, Wastewater treatment, Water pollution utilization

Pawłowska S., Cysewska K., Ziai Y., Karczewski J., Jasiński P., Molin S., Influence of conductive carbon and MnCo2O4 on morphological and electrical properties of hydrogels for electrochemical energy conversion, Beilstein Journal of Nanotechnology, ISSN: 2190-4286, DOI: 10.3762/bjnano.15.6, Vol.15, pp.57-70, 2024

Keywords:
electrical properties, energy, hydrogel, hydrogen, oxygen evolution reaction, polymer composites

Dąbrowski M., Brachaczek A., Bogusz K., Glinicki M.A., Experimental assessment of appropriate time for aggregate exposure at the surface of cement concrete pavement, International Journal of Pavement Engineering, ISSN: 1029-8436, DOI: 10.1080/10298436.2024.2318607, Vol.25, No.1, pp.1-12, 2024

Abstract:
Exposed aggregate concrete (EAC) pavement is a commonly employed technology in Europe for the construction of highways. The technical challenges associated with pavement construction include achieving both a comfortable ride and the desired skid resistance, while ensuring the long-term concrete durability. Maintaining uniformity of concrete mix, precise dosing of retarding agents, optimal selection of brushing time, and ensuring adequate curing conditions are identified as critical factors for achieving the designed ride performance. This study is focused on determining the appropriate time for the brushing operation, conducted to expose aggregate grains at the surface of the pavement. Laboratory tests were performed on concrete mixes designed to replicate job mixes for the upper layer of a two-layer concrete pavement. Measurements of the mass of evaporated water from the cement paste, isothermal calorimetry tests, and modified Vicat tests were employed to predict the appropriate brushing time. The texture depth was determined using a laser profiler as a function of brushing time. Compressive strength, the rate of chloride ion migration, and scaling resistance were determined through tests conducted on specimens cut from exposed aggregate slabs. Results revealed the suitability of the developed test method for determining the appropriate time for brushing EAC pavements.

Keywords:
cement setting, exposed aggregate concrete, macrotexture, pavement durability, surface retarder, texturing technology

Rezaee Hajidehi M., Modeling of localized phase transformation in pseudoelastic shape memory alloys accounting for martensite reorientation, EUROPEAN JOURNAL OF MECHANICS A-SOLIDS, ISSN: 0997-7538, DOI: 10.1016/j.euromechsol.2024.105376, Vol.107, pp.105376-1-19, 2024

Abstract:
A reliable prediction of the pseudoelastic behavior necessitates the involvement of martensite reorientation in the model. This is important not only under non-proportional loading but in general when the phase transformation proceeds in a localized manner, which results in complex local deformation paths. In this work, an advanced model of pseudoelasticity is developed within the incremental energy minimization framework. A novel enhancement of the model over its original version lies in the formulation of a suitable rate-independent dissipation potential that incorporates the dissipation due to martensitic phase transformation and also due to martensite reorientation, thus yielding an accurate description of the inelastic transformation strain. The finite-element implementation of the model relies on the augmented Lagrangian treatment of the non-smooth incremental energy problem. Thanks to the micromorphic regularization, the related complexities are efficiently handled at the local level, leading to a robust finite-element model. Numerical studies highlight the predictive capabilities of the model. The characteristic mechanical behavior of NiTi tube under non-proportional tension– torsion and the intricate transformation evolution under pure bending are effectively captured by the model. Additionally, a detailed analysis is carried out to elucidate the important role of martensite reorientation in promoting the striations of the phase transformation front.

Keywords:
Shape memory alloys,Phase transformation,Martensite reorientation,Strain localization,Finite-element method

Kopeć M., Gunputh U., Williams G., Macek W., Kowalewski Z.L., Wood P., Fatigue Damage Evolution in SS316L Produced by Powder Bed Fusion in Different Orientations with Reused Powder Feedstock, EXPERIMENTAL MECHANICS, ISSN: 0014-4851, DOI: 10.1007/s11340-024-01118-1, pp.1-16, 2024

Abstract:
Background

Metal Laser Powder Bed Fusion Melting (LPBF-M) is considered economically viable and environmentally sustainable because of the possibility of reusing the residual powder feedstock leftover in the build chamber after a part build is completed. There is however limited information on the fatigue damage development of LPBF-M samples made from reused feedstock.
Objective

In this paper, the stainless steel 316 L (SS316L) powder feedstock was examined and characterised after 25 reuses, following which the fatigue damage development of material samples made from the reused powder was assessed.
Methods

The suitability of the powder to LPBF-M technology was evaluated by microstructural observations and measurements of Hall flow, apparent and tapped density as well as Carr’s Index and Hausner ratio. LPBF-M bar samples in three build orientations (Z – vertical, XY – horizontal, ZX – 45° from the build plate) were built for fatigue testing. They were then subjected to fatigue testing under load control using full tension and compression cyclic loading and stress asymmetry coefficient equal to -1 in the range of stress amplitude from ± 300 MPa to ± 500 MPa.
Results

Samples made from reused powder (25 times) in the LPBF-M process exhibited similar fatigue performance to fresh unused powder although a lower ductility for vertical samples was observed during tensile testing. Printing in horizontal (XY) and diagonal (ZX) directions, with reused powder, improved the service life of the SS316L alloy in comparison to the vertical (Z).
Conclusions

Over the 25 reuses of the powder feedstock there was no measurable difference in the flowability between the fresh (Hall Flow: 21.4 s/50 g) and reused powder (Hall Flow: 20.6 s/50 g). This confirms a uniform and stable powder feeding process during LPBF-M for both fresh and reused powder. The analysis of fatigue damage parameter, D, concluded cyclic plasticity and ratcheting to be the main mechanism of damage.

Keywords:
SS316L ,Stainless steel,Fatigue ,Additive manufacturing,Laser Powder Bed Fusion Melting (LPBF-M)

Węglewski W., Sequeira A., Bochenek K., Rosc J., Brunner R., Basista M.A., Finite element modeling of thermal residual stresses in functionally graded aluminum-matrix composites using X-ray micro-computed tomography, FINITE ELEMENTS IN ANALYSIS AND DESIGN, ISSN: 0168-874X, DOI: 10.1016/j.finel.2024.104239, Vol.241, No.104239, pp.1-16, 2024

Abstract:
Metal-ceramic composites by their nature have thermal residual stresses at the micro-level, which can compromise the integrity of structural elements made from these materials. The evaluation of thermal residual stresses is therefore of continuing research interest both experimentally and by modeling. In this study, two functionally graded aluminum alloy matrix composites, AlSi12/Al2O3 and AlSi12/SiC, each consisting of three composite layers with a stepwise gradient of ceramic content (10, 20, 30 vol%), were produced by powder metallurgy. Thermal residual stresses in the AlSi12 matrix and the ceramic reinforcement of the ungraded and graded composites were measured by neutron diffraction. Based on the X-ray micro-computed tomography (micro-XCT) images of the actual microstructure, a series of finite element models were developed to simulate the thermal residual stresses in the AlSi12 matrix and the reinforcing ceramics Al2O3 and SiC. The accuracy of the numerical predictions is high for all cases considered, with a difference of less than 5 % from the neutron diffraction measurements. It is shown numerically and validated by neutron diffraction data that the average residual stresses in the graded AlSi12/Al2O3 and AlSi12/SiC composites are lower than in the corresponding ungraded composites, which may be advantageous for engineering applications.

Keywords:
Finite element modeling,Micro-XCT,Thermal residual stress,Hot pressing,Aluminum matrix composites

Kopeć M., Gunputh U., Macek W., Kowalewski Z.L., Wood P., Orientation effects on the fracture behaviour of additively manufactured stainless steel 316L subjected to high cyclic fatigue, Theoretical and Applied Fracture Mechanics, ISSN: 0167-8442, DOI: 10.1016/j.tafmec.2024.104287, pp.1-20, 2024

Abstract:
In this paper, stainless steel 316L (SS316L) bars were additively manufactured (AM) in three orientations (Z – vertical, XY – horizontal, ZX45 – midway between vertical and horizontal) by using the Laser Powder Bed Fusion Melting (LPBF-M) method. The AM specimens were subjected to load control fatigue testing under full tension and compression (R = -1) at stress amplitudes ±350, ±400 and ±450 MPa. The XY and ZX45 printing orientations were found to significantly improve service life. Although similar strain response was found for each orientation when the same stress amplitude was applied, slightly different fracture mechanisms were identified during the post-mortem surface observations.

Keywords:
SS316L,stainless steel,fatigue,additive manufacturing,Laser Powder Bed Fusion Melting (LPBF-M)

Nisar F., Rojek J., Nosewicz S., Szczepański J., Kaszyca K., Chmielewski M., Discrete element model for effective electrical conductivity of spark plasma sintered porous materials, Computational Particle Mechanics, ISSN: 2196-4378, DOI: 10.1007/s40571-024-00773-4, pp.1-11, 2024

Abstract:
This paper aims to analyse electrical conduction in partially sintered porous materials using an original resistor network model within discrete element framework. The model is based on sintering geometry, where two particles are connected via neck. Particle-to-particle conductance depends on neck size in sintered materials. Therefore, accurate evaluation of neck size is essential to determine conductance. The neck size was determined using volume preservation criterion. Additionally, grain boundary correction factor was introduced to compensate for any non-physical overlaps between particles, particularly at higher densification. Furthermore, grain boundary resistance was added to account for the porosity within necks. For numerical analysis, the DEM sample was generated using real particle size distribution, ensuring a heterogeneous and realistic microstructure characterized by a maximum-to-minimum particle diameter ratio of 15. The DEM sample was subjected to hot press simulation to obtain geometries with different porosity levels. These representative geometries were used to simulate current flow and determine effective electrical conductivity as a function of porosity. The discrete element model (DEM) was validated using experimentally measured electrical conductivities of porous NiAl samples manufactured using spark plasma sintering (SPS). The numerical results were in close agreement with the experimental results, hence proving the accuracy of the model. The model can be used for microscopic analysis and can also be coupled with sintering models to evaluate effective properties during the sintering process.

Keywords:
Discrete element method, Effective electrical conductivity, Porous materials, Sintering, Resistor network model

Nwaji N., Getasew Mulualem Z., Juyong G., Hyojin K., Lemma Tushome T., Yujin C., Mahedra G., Hyeyoung S., Jaebeom L., Dimeric NiCo single-atom anchored on ultrathin N-doped 2D molybdenum carbide boosted performance in solid-state supercapacitor, Journal of Energy Storage, ISSN: 2352-152X, DOI: 10.1016/j.est.2024.110671, Vol.83, pp.1-10, 2024

Abstract:
Tuning the electronic structure of single-atom catalysts through dimeric single-atom formation could be an innovative approach to increasing their energy storage activity, but the process of achieving this is challenging. In this study, we designed a simple technique to obtain Nisingle bondCo single atom dimers (SADs) anchored on N-doped molybdenum carbide (N-Mo2C) through in-situ encapsulation of Nisingle bondCo into molybdenum polydopamine, followed by annealing with optimal tuning of nitrogen dopant. The Nisingle bondCo atomic level coordination was confirmed with X-ray absorption spectroscopy. When used as energy storage supercapacitor, The NiCo-SADs showed enhanced specific capacity (1004.8 F g−1 at 1 A g−1), enhanced rate capability (75 %), and exceptional cycling stability (93.6 % with 98.5 % coulombic efficiency) via a dominant capacitive charge storage. The augmented charge storage characteristics are attributed to the collaborative features of the active Nisingle bondCo constituents acting as electron reservoir for effective adsorption of HO− ion during the electrochemical process. The DFT study showed thermodynamically favorable OH− adsorption between the three metal bridges that promoted redox reaction kinetics and enhanced conductivity for the NiCo-SADs. When using N-Mo2C as the anode to fabricate hybrid supercapacitors, the device exhibits high energy density of 69.69 Wh kg−1 at power density of 8200 W kg−1, respectively and shows excellent long-term cycling stability (93.42 % after 3000 cycles), which affirms the potential of the assembled device for applications in solid state supercapacitors.

Gaurav A., Das A., Paul A., Jain A., Boruah B., Jalebi M., Could halide perovskites revolutionalise batteries and supercapacitors: A leap in energy storage, Journal of Energy Storage, ISSN: 2352-152X, DOI: 10.1016/j.est.2024.111468, Vol.88, No.111468, pp.1-22, 2024

Abstract:
Metal halide perovskites have rapidly emerged as a revolutionary frontier in materials science, catalyzing breakthroughs in energy storage technology. Originating as transformative entities in the field of solar cells, these perovskites have surpassed conventional boundaries. This comprehensive review embarks on a journey through the intriguing potentials of energy storage, driven by the exceptional properties of perovskite materials. We delve into three compelling facets of this evolving landscape: batteries, supercapacitors, and the seamless integration of solar cells with energy storage. In the realm of batteries, we introduce the utilization of perovskites, with a specific focus on both lead and lead-free halide perovskites for conciseness. Leveraging superior electrical properties such as high ionic conductivity (ranging from 10−3 to 10−4 Scm−1 for Li-ion) and diverse structural dimensions coupled with remarkable diffusion coefficients (2.68 × 10−8 cm2s−1 and 3.63 × 10−9 cm2s−1) for Chloride and Iodide-based halide perovskites, respectively, we explore the immense potential of perovskites as electrodes compared to other host materials such as layered oxide, carbon, etc., specifically for Al-ion, Zn-ion, and Li-ion batteries application, paving the way for the next generation of energy storage devices. In the domain of supercapacitors, we discuss the application of halide perovskites, highlighting both their advantages and limitations. We also provide a brief overview of the significant progress made in the supercapacitor domain using perovskite materials over the years. Additionally, we venture into unexplored territories, emphasizing the potential integration of solar cells and energy storage systems, delving into innovative concepts such as photo-accelerated capacitors/supercapacitors and photo-accelerated batteries. Importantly, we presented a detailed analysis of the impact of the perovskite composition on different energy storage applications. Ultimately, we outline the significant advantages, recognize the existing limitations, and stimulate imagination concerning the boundless future potential of halide perovskites in the energy storage domain, fostering a scientific and innovative perspective that contributes to the ongoing research and practical application of perovskite materials.

Keywords:
Metal halide perovskite, Energy storage, Battery, Supercapacitors, Perovskite solar cells-batteries

Lisowski P., Glinicki M.A., Novel Processing Methods of Low-Clinker Multi-Component Cementitious Materials—A Review, Applied Sciences, ISSN: 2076-3417, DOI: 10.3390/app14020899, Vol.14(2), No.899, pp.1-28, 2024

Abstract:
The wide use of multi-component cement of highly reduced Portland clinker factor is largely impeded by detrimental changes in the rheological properties of concrete mixes, a substantial reduction in the early rate of cement hardening, and sometimes the insufficient strength of mature concrete. Therefore, major changes are needed in traditional concrete-production technologies if low-clinker cement is to gain wider acceptance. This review’s goal is to summarize the impacts of using non-ionizing radiation methods to improve the dispersion of concrete mix constituents, cement setting, and early hardening. The potential impacts of such interactions on the permeability and strength of concrete are also highlighted and investigated. Their intriguing potential for delivering additional energy to cementitious mixtures is analyzed for batch water, solid non-clinker constituents of cement (mainly supplementary cementitious materials), and their mixtures with aggregates. The advantages of adopting these non-traditional methods are found to be highly alluring to the greener preparation techniques used in the construction materials sector.

Keywords:
concrete mixing technology,early-age properties,low-clinker multi-component cement,magnetized water,microwave treatment,non-clinker constituents,ultrasound treatment

Zhang Y., Nwaji N.^♦, Wu L., Jin m., Zhou G., Giersig M., Wang X., Qiu T., Akinoglu E.M., MAPbBr3/Bi2WO6 Z-scheme-Heterojunction Photocatalysts for photocatalytic CO2 reduction, JOURNAL OF MATERIALS SCIENCE, ISSN: 0022-2461, DOI: 10.1007/s10853-023-09220-w, Vol.59, pp.1498-1512, 2024

Abstract:
Photocatalytic CO2 reduction has emerged as a promising strategy for converting solar energy into valuable chemicals, capturing the attention of scientists across various disciplines. Organic and inorganic perovskites, particularly methylammonium lead bromide (MAPbBr3), have demonstrated potential in this field due to their remarkable visible-light response and carrier transport properties. However, the catalytic performance of pristine MAPbBr3 has been limited by severe charge recombination, hindering its applicability in photocatalytic systems. Here, we show that a MAPbBr3/Bi2WO6 (MA/BWO) heterojunction significantly enhances photocatalytic CO2 reduction performance compared to individual pristine MA or BWO. This enhancement is evidenced by the superior performance of the 25% MA/BWO composite, which exhibits CO and CH4 release rates of 1.82 μmol/g/h and 0.08 μmol/g/h, respectively. This improvement is attributed to the direct Z-scheme heterojunction formed between MAPbBr3 and Bi2WO6, which facilitates efficient charge separation and suppresses charge recombination. The results challenge the previous understanding of MAPbBr3-based photocatalysts and demonstrate a novel approach for developing highly active organic and inorganic perovskite photocatalysts. The successful application of the MA/BWO heterojunction in photocatalytic CO2 reduction expands the scope of organic and inorganic perovskites in the field of renewable energy conversion. By providing a broader perspective, our findings contribute to the ongoing efforts towards sustainable energy solutions, appealing

Kopeć M., Mierzejewska I., Gorniewicz D., Sitek R., Jóźwiak S., High-temperature oxidation behaviour of additively manufactured and wrought HAYNES 282, JOURNAL OF MATERIALS SCIENCE, ISSN: 0022-2461, DOI: 10.1007/s10853-024-10207-4, pp.1-19, 2024

Abstract:
Direct Metal Laser Sintered Haynes 282 specimens as well as wrought ones were subjected to high-temperature exposure at 1000 °C for 100h in air to compare their oxidation behaviour. The specimens were removed from the furnace after 1h, 5h, 25h, 50h and 100h to reveal and study oxidation mechanisms through morphological and cross-sectional examination by using scanning electron microscopy with energy dispersive spectroscopy attachment and X-ray diffraction. Microstructural studies revealed that the oxidation kinetics, determined by changes in thickness scale and depth of aluminium diffusion zone, were mainly driven by the formation of Cr2O3 for the wrought material, and TiO2 for DMLS one. The wrought material was characterized by the oxidation rate equal to 0.96 and followed the logarithmic law. On the other hand, DMLS-manufactured Haynes 282 exhibited oxidation rate of 0.90 and follows the linear law for the thickness scale considerations. However, when the depth of aluminium diffusion was investigated, it had an oxidation rate of 0.87 and followed cubic law.

Staszczak M., Urbański L., Cristea M., Ionita D., Pieczyska E.A., Investigation of Shape Memory Polyurethane Properties in Cold Programming Process Towards Its Applications, Polymers, ISSN: 2073-4360, DOI: 10.3390/polym16020219, Vol.16, No.2, pp.219-1-219-20, 2024

Abstract:
Thermoresponsive shape memory polymers (SMPs) with the remarkable ability to remember a temporary shape and recover their original one using temperature have been gaining more and more attention in a wide range of applications. Traditionally, SMPs are investigated using a method named often “hot-programming”, since they are heated above their glass transition temperature (Tg) and after that, reshaped and cooled below Tg to achieve and fix the desired configuration. Upon reheating, these materials return to their original shape. However, the heating of SMPs above their Tg during a thermomechanical cycle to trigger a change in their shape creates a temperature gradient within the material structure and causes significant thermal expansion of the polymer sample resulting in a reduction in its shape recovery property. These phenomena, in turn, limit the application fields of SMPs, in which fast actuation, dimensional stability and low thermal expansion coefficient are crucial. This paper aims at a comprehensive experimental investigation of thermoplastic polyurethane shape memory polymer (PU-SMP) using the cold programming approach, in which the deformation of the SMP into the programmed shape is conducted at temperatures below Tg. The PU-SMP glass transition temperature equals approximately 65 ◦C. Structural, mechanical and thermomechanical characterization was performed, and the results on the identification of functional properties of PU-SMPs in quite a large strain range beyond yield limit were obtained. The average shape fixity ratio of the PU-SMP at room temperature programming was found to be approximately 90%, while the average shape fixity ratio at 45 ◦C (Tg − 20 ◦C) was approximately 97%. Whereas, the average shape recovery ratio was 93% at room temperature programming and it was equal to approximately 90% at 45 ◦C. However, the results obtained using the traditional method, the so-called hot programming at 65 ◦C, indicate a higher shape fixity value of 98%, but a lower shape recovery of 90%. Thus, the obtained results confirmed good shape memory properties of the PU-SMPs at a large strain range at various temperatures. Furthermore, the experiments conducted at both temperatures below Tg demonstrated that cold programming can be successfully applied to PU-SMPs with a relatively high Tg. Knowledge of the PU-SMP shape memory and shape fixity properties, estimated without risk of material degradation, caused by heating above Tg, makes them attractive for various applications, e.g., in electronic components, aircraft or aerospace structures.

Keywords:
polyurethane shape memory polymer, cold programming, thermal expansion, shape fixity, shape recovery

Zaszczyńska A., Kołbuk-Konieczny D., Gradys A. D., Sajkiewicz P. Ł., Development of Poly(methyl methacrylate)/nano-hydroxyapatite (PMMA/nHA) Nanofibers for Tissue Engineering Regeneration Using an Electrospinning Technique, Polymers, ISSN: 2073-4360, DOI: 10.3390/polym16040531, Vol.16, No.4, pp.531-1-19, 2024

Abstract:
The study explores the in vitro biocompatibility and osteoconductivity of poly(methyl methacrylate)/nano-hydroxyapatite (PMMA/nHA) composite nanofibrous scaffolds for bone tissue engineering (BTE). Electrospun scaffolds, exhibiting both low and high fiber orientation, were investigated. The inclusion of hydroxyapatite nanoparticles enhances the osteoconductivity of the scaffolds while maintaining the ease of fabrication through electrospinning. SEM analysis confirms the high-quality morphology of the scaffolds, with successful incorporation of nHA evidenced by SEM-EDS and FTIR methods. DSC analysis indicates that nHA addition increases the PMMA glass transition temperature (Tg) and reduces stress relaxation during electrospinning. Furthermore, higher fiber orientation affects PMMA Tg and stress relaxation differently. Biological studies demonstrate the composite material’s non-toxicity, excellent osteoblast viability, attachment, spreading, and proliferation. Overall, PMMA/nHA composite scaffolds show promise for BTE applications.

Keywords:
biomaterials, nanofibrous scaffolds, bone tissue engineering

Staszczak M., Urbański L., Gradys A. D., Cristea M., Pieczyska E. A., Nucleation, Development and Healing of Micro-Cracks in Shape Memory Polyurethane Subjected to Subsequent Tension Cycles, Polymers, ISSN: 2073-4360, DOI: 10.3390/polym16131930, Vol.16, No.13, pp.1-22, 2024

Abstract:
Thermoresponsive shape memory polymers (SMPs) have garnered increasing interest for their exceptional ability to retain a temporary shape and recover the original configuration through temperature changes, making them promising in various applications. The SMP shape change and recovery that happen due to a combination of mechanical loading and appropriate temperatures are related to its particular microstructure. The deformation process leads to the formation and growth of micro-cracks in the SMP structure, whereas the subsequent heating over its glass transition temperature Tg leads to the recovery of its original shape and properties. These processes also affect the SMP microstructure. In addition to the observed macroscopic shape recovery, the healing of micro-crazes and micro-cracks that have nucleated and developed during the loading occurs. Therefore, our study delves into the microscopic aspect, specifically addressing the healing of micro-cracks in the cyclic loading process. The proposed research concerns a thermoplastic polyurethane shape memory polymer (PU-SMP) MM4520 with a Tg of 45 °C. The objective of the study is to investigate the effect of the number of tensile loading-unloading cycles and thermal shape recovery on the evolution of the PU-SMP microstructure. To this end, comprehensive research starting from structural characterization of the initial state and at various stages of the PU-SMP mechanical loading was conducted. Dynamic mechanical analysis (DMA), differential scanning calorimetry (DSC), wide-angle X-ray scattering (WAXS) and scanning electron microscopy (SEM) were used. Moreover, the shape memory behavior in the thermomechanical loading program was investigated. The obtained average shape fixity value was 99%, while the shape recovery was 92%, which confirmed good shape memory properties of the PU-SMP. Our findings reveal that even during a single loading-unloading tension cycle, crazes and cracks nucleate on the surface of the PU-SMP specimen, whereas the subsequent temperature-induced shape recovery process carried out at the temperature above Tg enables the healing of micro-cracks. Interestingly, the surface of the specimen after three and five loading-unloading cycles did not exhibit crazes and cracks, although some traces of cracks were visible. The traces disappeared after exposing the material to heating at Tg + 20 °C (65 °C) for 30 min. The crack closure phenomenon during deformation, even without heating over Tg, occurred within three and five subsequent cycles of loading-unloading. Notably, in the case of eight loading-unloading cycles, cracks appeared on the surface of the PU-SMP and were healed only after thermal recovery at the particular temperature over Tg. Upon reaching a critical number of cycles, the proper amount of energy required for crack propagation was attained, resulting in wide-open cracks on the material’s surface. It is worth noting that WAXS analysis did not indicate strong signs of typical highly ordered structures in the PU-SMP specimens in their initial state and after the loading history; however, some orientation after the cyclic deformation was observed.

Keywords:
polyurethane shape memory polymer, glass transition temperature, tensile loading cycles, structure analysis, micro-cracks, healing

Osial M., Wilczewski S., Godlewska U., Skórczewska K., Hilus J., Szulc J., Roszkiewicz-Walczuk A., Dąbrowska A., Moazzami Goudarzi Z., Lewandowski K., Wypych T., Nguyen Phuong T., Sumara G., Giersig M., Incorporation of Nanostructural Hydroxyapatite and Curcumin Extract from Curcuma longa L. Rhizome into Polylactide to Obtain Green Composite, Polymers, ISSN: 2073-4360, DOI: 10.3390/polym16152169, Vol.16, No.15, pp.2169-1-20, 2024

Abstract:
This study showed that a polylactide (PLA)-based composite filled with nanostructured hydroxyapatite (HAp) and a natural extract from the rhizome of Curcuma longa L. could provide an alternative to commonly used fossil-based plasticsfor food packaging. The incorporation of HAp into the PLA matrix had a positive effect on improving selected properties of the composites; the beneficial effect could be enhanced by introducing a green modifier in the form of an extract. Prior to the fabrication of the composite, the filler was characterized in terms of morphology and composition, and the composite was then fully characterized by scanning electron microscopy (SEM), atomic force microscopy (AFM), Raman and Fourier transform infrared spectroscopy (FT-IR), and the mechanical, thermal, thermomechanical, and optical properties were investigated. The proposed material exhibits antioxidant properties against DPPH radicals and antibacterial performance against Escherichia coli (E. coli). The results showed that the nanocomposite has the highest antioxidant and antibacterial properties for 10 wt% HAp with an average diameter of rod-shaped structures below 100 nm. In addition, the introduction of turmeric extract had a positive effect on the tensile strength of the nanocomposites containing 1 and 5% HAp. As the resulting material adsorbs light in a specific wavelength range, it can be used in the medical sector, food-packaging, or coatings.

Keywords:
polylactide, hydroxyapatite, turmeric extract, curcumin extract, green composite

Zaszczyńska A., Zabielski K., Gradys A. D., Kowalczyk T., Sajkiewicz P. Ł., Piezoelectric Scaffolds as Smart Materials for Bone Tissue Engineering, Polymers, ISSN: 2073-4360, DOI: 10.3390/polym16192797, Vol.16, No.19, pp.2797-1-30, 2024

Abstract:
Bone repair and regeneration require physiological cues, including mechanical, electrical, and biochemical activity. Many biomaterials have been investigated as bioactive scaffolds with excellent electrical properties. Amongst biomaterials, piezoelectric materials (PMs) are gaining attention in biomedicine, power harvesting, biomedical devices, and structural health monitoring. PMs have unique properties, such as the ability to affect physiological movements and deliver electrical stimuli to damaged bone or cells without an external power source. The crucial bone property is its piezoelectricity. Bones can generate electrical charges and potential in response to mechanical stimuli, as they influence bone growth and regeneration. Piezoelectric materials respond to human microenvironment stimuli and are an important factor in bone regeneration and repair. This manuscript is an overview of the fundamentals of the materials generating the piezoelectric effect and their influence on bone repair and regeneration. This paper focuses on the state of the art of piezoelectric materials, such as polymers, ceramics, and composites, and their application in bone tissue engineering. We present important information from the point of view of bone tissue engineering. We highlight promising upcoming approaches and new generations of piezoelectric materials.

Keywords:
piezoelectricity, scaffolds, smart scaffolds, PVDF, PLLA, PVDF-TRFE, collagen, keratin, tissue engineering, bone tissue engineering, smart medicine, regenerative medicine

Makowska K., Kowalewski Z.L., Analysis of the Microstructure and Hardness of Flake Graphite Cast Iron Using the Barkhausen Noise Method and Conventional Techniques, JOURNAL OF NONDESTRUCTIVE EVALUATION, ISSN: 0195-9298, DOI: 10.1007/s10921-024-01065-w, Vol.43, No.54, pp.1-12, 2024

Abstract:
The new brake disc was evaluated for microstructure and hardness by the conventional destructive tests and non-destructive Barkhausen noise method (BNM). Ten non-destructive measurements were carried out in different areas of a brake disc, which were then cut out and made into metallographic test samples. Qualitative and quantitative analysis of graphite precipitates was performed to assess their volume in material matrix, anisotropy and size. Subsequently, graphs showing the relationships between selected stereological parameters of graphite precipitates and parameters determined from the RMS envelope of Barkhausen noise were elucidated. Similar relationships between hardness and parameters coming from non-destructive tests were carried out. Magnetic parameters that specified the size of a graphite precipitate was selected. In addition, repeatability studies using BNM were carried out in the areas of the material with the smallest and largest average size of graphite precipitates. A linear relationship between amplitude of BN and length of graphite flakes was found. The paper presents the possibilities of assessing the volume and size of graphite precipitates, as well as cast iron hardness using BNM.

Keywords:
Flake cast iron,Barkhausen noise,Brake disc,Non-destructive testing,Hardness

Tytko G., Adamczyk-Habrajska M., Luo Y., Kopeć M., Eddy Current Testing in the Quantitive Assessment of Degradation State in MAR247 Nickel Superalloy with Aluminide Coatings, JOURNAL OF NONDESTRUCTIVE EVALUATION, ISSN: 0195-9298, DOI: 10.1007/s10921-024-01129-x, Vol.43, No.112, pp.1-10, 2024

Abstract:
In this paper, the effectiveness of the eddy current methodology for crack detection in MAR 247 nickel-based superalloy with aluminide coatings subjected to cyclic loading was investigated. The specimens were subjected to force-controlled fatigue tests under zero mean level, constant stress amplitude from 300 MPa to 600 MPa and a frequency of 20 Hz. During the fatigue, a particular level of damage was introduced into the material leading to the formation of microcracks. Subsequently, a new design of probe with a pot core was developed to limit magnetic flux leakage and directed it towards the surface under examination. The suitability of the new methodology was further confirmed as the specimens containing defects were successfully identified. The changes in probe resistance values registered for damaged specimens ranged approximately from 8 to 14%.

Keywords:
Nickel alloys, Aluminide coating, Non-destructive testing, Eddy current testing

Rudnicka Z., Pręgowska A., Glądys K., Perkins M., Proniewska K., Advancements in artificial intelligence-driven techniques for interventional cardiology, Cardiology Journal, ISSN: 1897-5593, DOI: 10.5603/cj.98650, pp.1-31, 2024

Abstract:
This paper aims to thoroughly discuss the impact of artificial intelligence (AI) on clinical practice in interventional cardiology (IC) with special recognition of its most recent advancements. Thus, recent years have been exceptionally abundant in advancements in computational tools, including the development of AI. The application of AI development is currently in its early stages, nevertheless new technologies have proven to be a promising concept, particularly considering IC showing great impact on patient safety, risk stratification and outcomes during the whole therapeutic process. The primary goal is to achieve the integration of multiple cardiac imaging modalities, establish online decision support systems and platforms based on augmented and/or virtual realities, and finally to create automatic medical systems, providing electronic health data on patients. In a simplified way, two main areas of AI utilization in IC may be distinguished, namely, virtual and physical. Consequently, numerous studies have provided data regarding AI utilization in terms of automated interpretation and analysis from various cardiac modalities, including electrocardiogram, echocardiography, angiography, cardiac magnetic resonance imaging, and computed tomography as well as data collected during robotic-assisted percutaneous coronary intervention procedures. Thus, this paper aims to thoroughly discuss the impact of AI on clinical practice in IC with special recognition of its most recent advancements.

Keywords:
artificial intelligence (AI), interventional cardiology (IC), cardiac modalities, augmented and/or virtual realities, automatic medical systems

Haponova O., Tarelnyk V., Mościcki T. P., Tarelnyk N., Półrolniczak J., Myslyvchenko O., Adamczyk-Cieślak B., Sulej-Chojnacka J., Investigation of the Structure and Properties of MoS2 Coatings Obtained by Electrospark Alloying, Coatings, ISSN: 2079-6412, DOI: 10.3390/coatings14050563, Vol.14, No.563, pp.1-15, 2024

Abstract:
Electrospark coatings alloyed with MoS2 have been studied. The coatings were obtained by the following two strategies: the first consisted of pre-applying molybdenum disulfide to the treated surface and alloying with a molybdenum electrode (Mo + MoS2 coating); the second consisted of applying a paste with a sulfur content of 33.3% to the treated surface and alloying with a molybdenum electrode (Mo + S coating). The structure, phase composition, and tribological properties of the coatings were investigated. The coatings have a complex structure consisting of an upper soft layer, a hardened white layer, a diffusion zone, and a substrate. Element analysis and cross-sectional hardness changes indicated that element diffusion occurred at the coating/substrate interface. The phase composition of the coatings is represented by BCC and FCC solid solutions on Fe, and MoS2 is also detected. In Mo + S coatings, the molybdenum disulfide on the surface is about 8%; in Mo + MoS2 coatings, it is 27%–46%. The obtained coatings show very good tribological properties compared to molybdenum ESA coatings. The frictional forces and coefficients are reduced by a factor of 10 and 40, depending on the test conditions.

Keywords:
electrospark alloying, coating, structure, molybdenum disulfide, tribological properties, energy conservation

Kopeć M., Recent Advances in the Deposition of Aluminide Coatings on Nickel-Based Superalloys: A Synthetic Review (2019–2023), Coatings, ISSN: 2079-6412, DOI: 10.3390/coatings14050630, Vol.14, No.630, pp.1-15, 2024

Abstract:
Thermal barrier coatings (TBCs) are widely used to improve the oxidation resistance and high-temperature performance of nickel-based superalloys operating in aggressive environments. Among the TBCs, aluminide coatings (ACs) are commonly utilized to protect the structural parts of jet engines against high-temperature oxidation and corrosion. They can be deposited by differ-ent techniques, including pack cementation (PC), slurry aluminizing or chemical vapor deposition (CVD). Although the mentioned deposition techniques have been known for years, the constant developments in materials sciences and processing stimulates progress in terms of ACs. There-fore, this review paper aims to summarize recent advances in the AC field that have been report-ed between 2019 and 2023. The review focuses on recent advances involving improved corrosion resistance in salty environments as well as against high temperatures ranging between 1000 °C and 1200 °C under both continuous isothermal high-temperature exposure for up to 1000 h and cyclic oxidation resulting from AC application. Additionally, the beneficial effects of enhanced mechanical properties, including hardness, fatigue performance and wear, are discussed.

Keywords:
high-temperature corrosion, aggressive environment, coating deposition

Kopeć M., Effect of Aluminide Coating Thickness on High-Temperature Fatigue Response of MAR-M247 Nickel-Based Superalloy, Coatings, ISSN: 2079-6412, DOI: 10.3390/coatings14081072, Vol.14(8), No.1072, pp.1-12, 2024

Abstract:
In this paper, 20 µm and 40 µm thick aluminide coatings were deposited on MAR-M247 nickel-based superalloy through the chemical vapor deposition (CVD) process in a hydrogen protective atmosphere for 4 h and 12 h, respectively, at a temperature of 1040 °C and an internal pressure of 150 mbar. The effect of aluminide coating thickness on the high-temperature performance of the MAR-M247 nickel-based superalloy was examined during a fatigue test at 900 °C. After high-temperature testing, the specimens were subjected to fractographic analysis to reveal the damage mechanisms. No significant effect of coating thickness was found since the material exhibited a similar service life throughout the fatigue test when subjected to the same stress amplitude. One should stress that the coating remained well adhered after specimen fracture, confirming its effectiveness in protecting the material against high-temperature oxidation.

Keywords:
fatigue, aluminide coatings, nickel alloys , high-temperature performance

Rudnicka Z., Szczepański J., Pręgowska A., Artificial Intelligence-Based Algorithms in Medical Image Scan Segmentation and Intelligent Visual Content Generation—A Concise Overview, Electronics , ISSN: 2079-9292, DOI: 10.3390/electronics13040746, Vol.13, No.4, pp.1-35, 2024

Abstract:
Recently, artificial intelligence (AI)-based algorithms have revolutionized the medical image segmentation processes. Thus, the precise segmentation of organs and their lesions may contribute to an efficient diagnostics process and a more effective selection of targeted therapies, as well as increasing the effectiveness of the training process. In this context, AI may contribute to the automatization of the image scan segmentation process and increase the quality of the resulting 3D objects, which may lead to the generation of more realistic virtual objects. In this paper, we focus on the AI-based solutions applied in medical image scan segmentation and intelligent visual content generation, i.e., computer-generated three-dimensional (3D) images in the context of extended reality (XR). We consider different types of neural networks used with a special emphasis on the learning rules applied, taking into account algorithm accuracy and performance, as well as open data availability. This paper attempts to summarize the current development of AI-based segmentation methods in medical imaging and intelligent visual content generation that are applied in XR. It concludes with possible developments and open challenges in AI applications in extended reality-based solutions. Finally, future lines of research and development directions of artificial intelligence applications, both in medical image segmentation and extended reality-based medical solutions, are discussed.

Keywords:
artificial intelligence, extended reality, medical image scan segmentation

Rudnicka Z., Proniewska K., Perkins M., Pręgowska A., Cardiac Healthcare Digital Twins Supported by Artificial Intelligence-Based Algorithms and Extended Reality—A Systematic Review, Electronics , ISSN: 2079-9292, DOI: 10.3390/electronics13050866, Vol.13, No.5, pp.1-35, 2024

Abstract:
Recently, significant efforts have been made to create Health Digital Twins (HDTs), Digital Twins for clinical applications. Heart modeling is one of the fastest-growing fields, which favors the effective application of HDTs. The clinical application of HDTs will be increasingly widespread in the future of healthcare services and has huge potential to form part of mainstream medicine. However, it requires the development of both models and algorithms for the analysis of medical data, and advances in Artificial Intelligence (AI)-based algorithms have already revolutionized image segmentation processes. Precise segmentation of lesions may contribute to an efficient diagnostics process and a more effective selection of targeted therapy. In this systematic review, a brief overview of recent achievements in HDT technologies in the field of cardiology, including interventional cardiology, was conducted. HDTs were studied taking into account the application of Extended Reality (XR) and AI, as well as data security, technical risks, and ethics-related issues. Special emphasis was put on automatic segmentation issues. In this study, 253 literature sources were taken into account. It appears that improvements in data processing will focus on automatic segmentation of medical imaging in addition to three-dimensional (3D) pictures to reconstruct the anatomy of the heart and torso that can be displayed in XR-based devices. This will contribute to the development of effective heart diagnostics. The combination of AI, XR, and an HDT-based solution will help to avoid technical errors and serve as a universal methodology in the development of personalized cardiology. Additionally, we describe potential applications, limitations, and further research directions.

Keywords:
Artificial Intelligence,Machine Learning,Metaverse,Virtual Reality,Extended Reality,Augmented Reality,Digital Twin,Health Digital Twin,personalized medicine,cardiology

Jóźwiak-Niedźwiedzka D., Choinska C., Brachaczek A., Dąbrowski M., Ośko J., Kuć M., Gas permeability and gamma ray shielding properties of concrete for nuclear applications, NUCLEAR ENGINEERING AND DESIGN, ISSN: 0029-5493, DOI: 10.1016/j.nucengdes.2024.113616, Vol.429, No.113616, pp.1-14, 2024

Abstract:
Concrete used in nuclear applications faces significant durability challenges due to degradation from radiation, thermal stresses, and chemical reactions. These issues highlight the critical need for impermeable concrete shields to prevent radioactive leaks and protect against harmful radiation. This study examines how concrete composition affects gas permeability and gamma radiation shielding properties. Three coarse aggregates—amphibolite (reference), magnetite, and serpentine—and two cement types (ordinary and slag) were tested, with concrete densities ranging from 2309 to 3538 kg/m3. Gas permeability was measured using a Cembureau-type constant head permeameter, and gamma shielding was assessed through the linear attenuation coefficient (µ) and half-value layer (HVL) at 137Cs decay energies. The results revealed significant variations in gas permeability and gamma ray shielding based on aggregate and cement type, with observable relationships between gas permeability, HVL, and concrete density. The results obtained from the presented research will contribute to increasing the safety, durability and cost-effectiveness of concrete constructions and maintenance of nuclear facilities.

Keywords:
Heavyweight aggregate, Hydrogen-bearing aggregate, Shielding concrete, Gas permeability, Gamma ray attenuation, Microstructure, ITZ

Moczulska-Heljak M., Heljak M., Sajkiewicz P. Ł., Kołbuk-Konieczny D., Unraveling hierarchically ordered melt electro-written tissue engineering scaffolds: Morphological and mechanical insights, POLYMER, ISSN: 0032-3861, DOI: 10.1016/j.polymer.2024.127717, Vol.313, pp.127717-1-9, 2024

Abstract:
Addressing critical tissue defects treatment remains a pressing challenge in medicine and bioengineering. Tissue engineering (TE) scaffolds, characterized by porous architectures suitable to cell growth, is a pivotal solution. Recent advances in additive techniques have revolutionized scaffold fabrication, enabling precise control over complex porous structures. This study conducts a comprehensive analysis of hierarchically ordered melt electrospun written (MEW) TE scaffolds, elucidating the relationships between fabrication parameters and their morphological and mechanical properties. Leveraging the phenomenon of melt jet deposit buckling, characteristic hierarchically ordered porous architectures were attained. The study explores the fabrication potential of hierarchically ordered porous MEW architectures across varied voltages, feed rates, and needle sizes. Morphometric parameters, including percent porosity, density of fiber intersections, and fiber diameter, were identified. It was revealed that for feed rates exceeding 20 mm/s, resultant fiber diameters were unaffected by voltage. However, increasing voltage leads to noticeable reduction of mesh stiffness due to the coiled fibers presence. Exceptions occur at the feed rate of 20 mm/s and for needle G24, where stiffness surpasses those of regular primary pattern, which could be attributed to increased number of fiber interconnections.

Keywords:
MEW, Hierarchically ordered meshes, Coiled architectures, Entangled meshes

Miller M., Scalici M., Fellous-Asiani M., Streltsov A., Power of noisy quantum states and the advantage of resource dilution, Physical Review A, ISSN: 2469-9926, DOI: 10.1103/PhysRevA.109.022404, Vol.109, pp.022404-1-022404-13, 2024

Abstract:
Entanglement distillation allows to convert noisy quantum states into singlets, which can, in turn, be used for various quantum technological tasks, such as quantum teleportation and quantum key distribution. Entanglement dilution is the inverse process: singlets are converted into quantum states with less entanglement. While the usefulness of distillation is apparent, practical applications of entanglement dilution are less obvious. Here, we show that entanglement dilution can increase the resilience of shared quantum states to local noise. The increased resilience is observed even if diluting singlets into states with arbitrarily little entanglement. We extend our analysis to other quantum resource theories, such as quantum coherence, quantum thermodynamics, and purity. For these resource theories, we demonstrate that diluting pure quantum states into noisy ones can be advantageous for protecting the system from noise. Our results demonstrate the usefulness of quantum resource dilution, and provide a rare example for an advantage of noisy quantum states over pure states in quantum information processing.

Halder S., Streltsov A., Banik M., Identifying the value of a random variable unambiguously: Quantum versus classical approaches, Physical Review A, ISSN: 2469-9926, DOI: 10.1103/PhysRevA.109.052608, Vol.109, pp.052608-1-052608-11, 2024

Abstract:
Quantum resources may provide an advantage over their classical counterparts. Theoretically, in certain tasks, this advantage can be very high. In this work, we construct such a task based on a game, mediated by the Referee and played between Alice and Bob. The Referee sends Alice a value of a random variable. At the same time, the Referee also sends Bob some partial information regarding that value. Here partial information can be defined in the following way. Bob gets the information of a random set that must contain the value of the variable, which is sent to Alice by the Referee, along with other value(s). Alice is not allowed to know what information is sent to Bob by the Referee. Again, Bob does not know which value of the random variable is sent to Alice. Now, the game can be won if and only if Bob can unambiguously identify the value of the variable that is sent to Alice, with some nonzero probability, no matter what information Bob receives or which value is sent to Alice. However, to help Bob, Alice sends some limited amount of information to him, based on any strategy that is fixed by Alice and Bob before the game begins. We show that if Alice sends a limited amount of classical information, then the game cannot be won, while the quantum analog of the “limited amount of classical information” is sufficient for winning the game. Thus, it establishes a quantum advantage. We further analyze several variants of the game and provide certain bounds on the success probabilities. Moreover, we establish connections between the trine ensemble, mutually unbiased bases, and the encoding-decoding strategies of those variants. We also discuss the role of quantum coherence in the present context.

Ludovico L., Regula B., Streltsov A., No-go theorem for entanglement distillation using catalysis, Physical Review A, ISSN: 2469-9926, DOI: 10.1103/PhysRevA.109.L050401, Vol.109, pp.L050401-1-L050401-6, 2024

Abstract:
The use of ancillary quantum systems known as catalysts is known to be able to enhance the capabilities of entanglement transformations under local operations and classical communication. However, the limits of these advantages have not been determined and in particular it is not known if such assistance can overcome the known restrictions on asymptotic transformation rates—notably the existence of bound entangled (undistillable) states. Here we establish a general limitation on entanglement catalysis: we show that catalytic transformations can never allow for the distillation of entanglement from a bound entangled state with positive partial transpose, even if the catalyst may become correlated with the system of interest and even under permissive choices of free operations. This precludes the possibility that catalysis may make entanglement theory asymptotically reversible. Our methods are based on asymptotic bounds for the distillable entanglement and entanglement cost assisted by correlated catalysts.

Paprocki B., Pręgowska A., Szczepański J., Does Adding of Neurons to the Network Layer Lead to Increased Transmission Efficiency?, IEEE Access, ISSN: 2169-3536, DOI: 10.1109/ACCESS.2024.3379324, Vol.12, pp. 42701-42709, 2024

Abstract:
The aim of this study is to contribute to the important question in Neuroscience of whether the number of neurons in a given layer of a network affects transmission efficiency. Mutual Information, as defined by Shannon, between the input and output signals for certain classes of networks is analyzed theoretically and numerically. A Levy-Baxter probabilistic neural model is applied. This model includes all important qualitative mechanisms involved in the transmission process in the brain. We derived analytical formulas for the Mutual Information of input signals coming from Information Sources as Bernoulli processes. These formulas depend on the parameters of the Information Source, neurons and network. Numerical simulations were performed using these equations. It turned out, that the Mutual Information starting from a certain value increased very slowly with the number of neurons being added. The increase is of the rate m_{−c} where m is the number of neurons in the transmission layer, and c is very small. The calculations also show that for a practical number (up to 15000) of neurons, the Mutual Information reaches only approximately half of the information that is carried out by the input signal. The influence of noise on the transmission efficiency depending on the number of neurons was also analyzed. It turned out that the noise level at which transmission is optimal increases significantly with this number. Our results indicate that a large number of neurons in the network does not mean an essential improvement in transmission efficiency, but can contribute to reliability.

Keywords:
Shannon communication theory,neural network,network layer,transmission efficiency,mutual information,model of neuron,spike trains,information source,entropy

Adamek A., Będkowski J., Kamiński P., Pasek R., Pełka M., Zawiślak J., Method for Underground Mining Shaft Sensor Data Collection, SENSORS, ISSN: 1424-8220, DOI: 10.3390/s24134119, Vol.24, No.13, pp.4119-1-4119-17, 2024

Abstract:
The motivation behind this research is the lack of an underground mining shaft data set in the literature in the form of open access. For this reason, our data set can be used for many research purposes such as shaft inspection, 3D measurements, simultaneous localization and mapping, artificial intelligence, etc. The data collection method incorporates rotated Velodyne VLP-16, Velodyne Ultra Puck VLP-32c, Livox Tele-15, IMU Xsens MTi-30 and Faro Focus 3D. The ground truth data were acquired with a geodetic survey including 15 ground control points and 6 Faro Focus 3D terrestrial laser scanner stations of a total 273,784,932 of 3D measurement points. This data set provides an end-user case study of realistic applications in mobile mapping technology. The goal of this research was to fill the gap in the underground mining data set domain. The result is the first open-access data set for an underground mining shaft (shaft depth −300 m).

Keywords:
LiDAR, IMU, underground shaft mapping, mine mapping

Mościcki T. P., Psiuk R., Jarząbek D. M., Ciemiorek-Bartkowska M., Kulikowski K., Jasiński J., Włoczewski M., Lewandowska-Szumieł M., Effect of titanium and deposition parameters on microstructure and mechanical properties of W-Ti-B thin films deposited by High Power Impulse Magnetron Sputtering, SURFACE AND COATINGS TECHNOLOGY, ISSN: 0257-8972, DOI: 10.1016/j.surfcoat.2024.130915, Vol.485, No.130915, pp.1-13, 2024

Abstract:
Tungsten diboride alloyed with transition metals provides an opportunity to obtain exceptional mechanical, physical, and chemical properties. We report a strategy for designing and synthesizing of superhard and low-compressible ceramic thin films with increased toughness and lowered residual stresses (σ < −0.9 GPa) deposited with high-power impulse magnetron sputtering (HiPIMS) from one target. The addition of 7–12 % titanium promotes additional strengthening mechanisms of the layers in one material, leading to the improvement of wear resistance compared to an alloyed WB2-z yet at even higher hardness 43.8 ± 2.1 GPa and nanoindentation toughness 4.9 ± 0.2 MPa√m. The compression of the micropillar shows that titanium addition changed the type of nanoindentation from cracking along the slip plane to bulging on the top of the pillar and next the crack initiation along column boundaries. The highest adhesion of the layers is obtained for addition of 7 % titanium and in all cases the wear has abrasive character. The controlled use of 200 μs pulses during synthesis with HiPIMS allows for an increase in the deposition rate and maintaining exceptional mechanical properties of the layers even at a substrate temperature of 300 °C.

Keywords:
Ternary transition metal diboride thin films, Mechanical properties, HiPIMS magnetron sputtering, Wear resistance and adhesion

Makowska K., Szymczak T., Kowalewski Z.L., Fatigue Behaviour of Medium Carbon Steel Assessed by the Barkhausen Noise Method, ACTA MECHANICA ET AUTOMATICA, ISSN: 1898-4088, DOI: 10.2478/ama-2024-0005, Vol.18, No.1, pp.40-47, 2024

Abstract:
In this paper, an attempt to estimate the stage of the fatigue process using the Barkhausen noise method is studied. First, microstructural and static tensile tests were carried out and, subsequently, fatigue tests up to failure were conducted. After determination of the material behaviour in the assumed static and dynamic conditions, the interrupted fatigue tests were performed. Each specimen was stressed up to a different number of cycles corresponding to 10%, 30%, 50%, 70% and 90% of fatigue lifetime for the loading conditions considered. In the next step of the experimental programme, the specimens were subjected to the Barkhausen magnetic noise measurements. Various magnetic parameters coming from the rms Barkhausen noise envelopes were determined. The linear relationship betweenthe full-width at half-maximum (FWHM) of the Barkhausen noise envelope and the number of loading cycles to fracture was found. Specimens loaded up to a certain number of cycles were also subjected to a tensile test to assess an influence of fatigue on the fracture features

Keywords:
fatigue, Barkhausen noise, structural steel, fracture, mechanical properties, deformation

Mackiewicz S., Ranachowski Z., Katz T., Dębowski T., Starzyński G., Ranachowski P., Modeling of Acoustic Coupling of Ultrasonic Probes for High-Speed Rail Track Inspection, ARCHIVES OF ACOUSTICS, ISSN: 0137-5075, DOI: 10.24425/aoa.2024.148787, pp.1-12, 2024

Abstract:
The paper presents the modeling of transmission of the ultrasonic plane wave through an uniform liquid layer. The considered sources of the ultrasonic wave were normal (straight) beam longitudinal wave probes and angle beam sheer waves probes commonly used in non-destructive testing. Coupling losses (CL) introduced by the presence of the coupling layer are discussed and determined applying the numerical procedure. The modeling applies to both monochromatic waves and short ultrasonic pulses with a specified frequency bandwidth. Model implementation and validation was performed using a specialized software. The predictions of the model were confirmed by coupling losses measurements for a normal beam longitudinal wave probe with a delay line made of polymethyl methacrylate (PMMA). The developed model can be useful in designing ultrasonic probes for high-speed rail track inspections, especially for establishing the optimal thickness of the water coupling layer and estimation of coupling losses, due to inevitable changes of the water gap during mobile rail inspection.

Keywords:
non-destructive testing, ultrasonic examination, plane wave propagation

Trots I., Tasinkiewicz J., Nowicki A., Mutually Orthogonal Complementary Golay Coded Sequences: An In-vivo Study, ARCHIVES OF ACOUSTICS, ISSN: 0137-5075, DOI: 10.24425/aoa.2024.148807, Vol.49, No.3, pp.429-437, 2024

Abstract:
Fast and high-quality ultrasound imaging allows to increase the effectiveness of detecting tissue changes at the initial stage of disease. The aim of the study was to assess the quality of ultrasound imaging using mutually
orthogonal, complementary Golay coded sequences (MOCGCS). Two 16-bits MOCGCS sets were implemented in the Verasonics Vantage™ scanner. Echoes from a perfect reflector, a custom-made nylon wire phantom,a tissue-mimicking phantom, and in-vivo scans of abdominal aorta and common carotid artery were recorded.Three parameters of the detected MOCGCS echoes: signal-to-noise ratio (SNR), side-lobe level (SLL), and axial resolution were evaluated and compared to the same parameters of the echoes recorded using standard
complementary Golay sequences (CGS) and a short, one sine cycle pulse. The results revealed that MOCGCS
transmission maintained comparable echo quality metrics (SNR, SLL, and axial resolution) compared to CGS
and short pulses. Notably, both MOCGCS and CGS offered similar SNR improvements (5 dB–9 dB) in compar-ison to the short pulse for wires placed at depths up to 8 cm. Analysis of axial resolution, estimated at the full width at half maximum level, revealed near-identical values for all transmitted signals (0.17 μs for MOCGCS,0.16 μs for CGS, and 0.18 μs for short pulse). MOCGCS implementation in ultrasound imaging offers the po-tential to significantly reduce image reconstruction time while maintaining image quality comparable to CGS sequences. In the experimental study we have shown that MOCGCS offers advantages over conventional CGS by enabling two times faster data acquisition and image reconstruction without compromising image quality.

Keywords:
coded excitation, Golay codes, synthetic aperture

Haponova O., Tarelnyk V., Mościcki T. P., Tarelnyk N., Investigating the effect of electrospark alloying parameters on structure formation of modified nitrogen coatings, BULLETIN OF THE POLISH ACADEMY OF SCIENCES: TECHNICAL SCIENCES, ISSN: 0239-7528, DOI: 10.24425/bpasts.2024.150802, Vol.72, No.5, pp.1-8, 2024

Abstract:
The quality parameters of surface layers synthesised using electrospark alloying (ESA) technology were analysed in this paper. The main focus was on the influence of equipment energy parameters on structure formation, specifically the effect of discharge energy and productivity. Microstructural analysis of the modified surface of C40 steel after nitriding by ESA using a paste containing nitrogen compounds injected into the interelectrode gap was conducted. The layer structure for all studied ESA parameters includes three areas: the upper “white layer”, the diffusion zone below it, and the substrate. The roughness of the surface is Ra ∼ 0.9 μm at low discharge energy Wp = 0.13 J and Ra ∼ 6 μm at Wp = 3.4 J. The microhardness, continuity, and surface roughness of the layers varied with Wp. The influence of ESA productivity on the structure was studied. The thickness of the hardened layer and the diffusion zone, as well as the microhardness and continuity, are affected by reduced productivity. For the same discharge energy, the thickness of the hardened layer increases by 10-18% with a decrease in productivity compared to the classical mode.

Keywords:
electrospark alloying, discharge energy, productivity, coating, structure

Bochenek K., Arneitz S., Sommitsch C., Basista M.A., Comparison of Mechanical Properties of Bulk NiAl-Re-Al2O3 Intermetallic Material Manufactured by Laser Powder Bed Fusion and Hot Pressing, Journal of Materials Engineering and Performance, ISSN: 1059-9495, DOI: 10.1007/s11665-024-09657-3, pp.1-10, 2024

Abstract:
The low fracture toughness of NiAl at room temperature is one of the critical issues limiting its application in aircraft engines. It has been previously shown that a small addition of rhenium and alumina significantly improves the fracture toughness of hot-pressed NiAl. In this work, NiAl with an admixture of rhenium and alumina was produced by laser powder bed fusion additive technology (LPBF). The purpose was to compare the fracture toughness, bending strength, and microhardness of the NiAl-Re-Al2O3 material produced by LPBF and hot pressing (HP). Our results show that the LPBF material has lower fracture toughness and bending strength compared to its hot-pressed equivalent. Microcracks generated by thermal stresses during the LPBF process were the primary cause of this behavior. To improve the LPBF material, a post-processing by HP was applied. However, the fracture toughness of the (LPBF + HP) material remained at 50% of the KIC of the HP material. This study supports hot pressing as a suitable processing method for NiAl with rhenium and alumina additions. However, a hybrid approach combining LPBF and HP proved to be highly effective on the raw NiAl powder, resulting in superior fracture toughness of the final material compared to that consolidated by singular HP.

Keywords:
NiAl intermetallic,additive manufacturing ,hot pressing ,mechanical properties

Tabin J., Brodecki A., Parametrisation of Uniform Deformation in Ductile Metals Using Digital Image Correlation Technology, EXPERIMENTAL TECHNIQUES, ISSN: 0732-8818, DOI: 10.1007/s40799-024-00704-1, pp.1-12, 2024

Abstract:
This paper presents a novel measurement method that aims to qualitatively and quantitatively assess uniform deformation during displacement- and force-controlled tensile tests of ductile metals. The method utilizes digital image correlation technology to record the strain distribution during tensile testing, followed by the calculation of the floating root mean square (RMS) value of the strain amplitude along the specimen axis. By implementing this approach, the RMS-based profiles of strain amplitude are identified in different metals and alloys, including austenitic stainless steels, structural steel, copper, and aluminium alloys. Moreover, the proposed method holds potential for predicting important deformation characteristics such as distribution of intensive plastic zones, necking effect, and delocalization effect. Thus, it establishes a link between macroscale and microscale during the analysis of plastic deformation behaviour. The effectiveness of the new method is compared with existing strain and strain-rate methods. The novel approach demonstrates promising advantages in the context of the identification of metal-forming parameters.

Keywords:
Digital image correlation, Root mean square, Uniform strain distribution, Strain delocalization, Necking effect

Roszkiewicz-Walczuk A., Garlińska M., Pręgowska A., Advancements in Piezoelectric-Enabled Devices for Optical Communication, physica status solidi (a), ISSN: 1862-6319, DOI: 10.1002/pssa.202400298, Vol.2024, pp.2400298-1-25, 2024

Abstract:
The ability of piezoelectric materials to convert mechanical energy into electric energy and vice versa has made them desirable in the wide range of applications that oscillate from medicine to the energetics industry. Their implementation in optical communication is often connected with the modulation or other manipulations of the light signals. In this article, the recent advancements in the field of piezoelectrics-based devices and their promising benefits in optical communication are explored. The application of piezoelectrics-based devices in optical communication allows dynamic control, modulation, and manipulation of optical signals that lead to a more reliable transmission. It turns out that a combination of artificial-intelligence-based algorithms with piezoelectrics can enhance the performance of these devices, including optimization of piezoelectric modulation, adaptive signal processing, control of optical components, and increase the level of energy efficiency. It can enhance signal quality, mitigate interference, and reduce noise-connected issues. Moreover, this technological fusion can increase the security of optical communication systems. Finally, the potential future research lines are determined.

Zargarian S., Zakrzewska A., Kosik-Kozioł A., Bartolewska M., Shah S., Li X., Su Q., Petronella F., Marinelli M., De Sio L., Lanzi M., Ding B., Pierini F., Advancing resource sustainability with green photothermal materials: Insights from organic waste-derived and bioderived sources, nanotechnology reviews, ISSN: 2191-9097, DOI: 10.1515/ntrev-2024-0100, Vol.13, No.1, pp.20240100-1-39, 2024

Abstract:
Recently, there has been a surge of interest in developing new types of photothermal materials driven by the ongoing demand for efficient energy conversion, environmental concerns, and the need for sustainable solutions. However, many existing photothermal materials face limitations such as high production costs or narrow absorption bands, hindering their widespread application. In response to these challenges, researchers have redirected their focus toward harnessing the untapped potential of organic waste-derived and bioderived materials. These materials, with photothermal properties derived from their intrinsic composition or transformative processes, offer a sustainable and cost-effective alternative. This review provides an extended categorization of organic waste-derived and bioderived materials based on their origin. Additionally, we investigate the mechanisms underlying the photothermal properties of these materials. Key findings highlight their high photothermal efficiency and versatility in applications such as water and energy harvesting, desalination, biomedical applications, deicing, waste treatment, and environmental remediation. Through their versatile utilization, they demonstrate immense potential in fostering sustainability and support the transition toward a greener and more resilient future. The authors’ perspective on the challenges and potentials of platforms based on these materials is also included, highlighting their immense potential for real-world implementation.

Keywords:
photothermal materials, organic waste valorization, bioderived materials

Nazish J., Sohail M., Mahmood A., Shah S. A., Qalawlus Aya Hamid M., Khaliq T., Nanocrystals loaded collagen/alginate-based injectable hydrogels: A promising biomaterial for bioavailability improvement of hydrophobic drugs, Journal of Drug Delivery Science and Technology, ISSN: 1773-2247, DOI: 10.1016/j.jddst.2023.105291, Vol.91, pp.105291-1-16, 2024

Abstract:
The study aims to improve the solubility of poorly soluble drug by developing an optimized formulation of nanocrystals and extend its release profile by incorporating optimized nanocrystals in a biopolymer based injectable hydrogel. Nanocrystals of Silymarin (SM) were developed by anti-solvent precipitation technique followed by homogenization. Various stabilizers were investigated and combination of polyvinyl pyrrolidine K30 (PVP K30) and sodium lauryl sulfate (SLS) in a specific ratio was chosen as a stabilizer for nanocrystals. The optimized nanocrystals possessed mean particle size 172 ± 5.23 nm and PDI of 0.228 ± 0.02. Sodium alginate (Alg) and collagen (Col) based injectable hydrogel in combination with pluronic F127 showed good biocompatibility, mechanical strength and biodegradability. The developed formulation was characterized by scanning electron microscopy (SEM), thermogravimetric analysis (TGA), Fourier transform infra-red spectroscopy (FT-IR) and X-ray diffraction (XRD) analysis. The results of FT-IR and TGA showed structural cross-linking between polymers and promising thermal stability of formulation with increasing temperature, respectively. The nanocrystals loaded Alg-Col-F127 injectable hydrogel was degraded completely in 48 h. The results of in vitro release studies and in vivo pharmacokinetic profiling of silymarin nanocrystals laden Alg-Col-F127 injectable hydrogel exhibited controlled release behavior as compared to coarse silymarin suspension and silymarin nanocrystals. Therefore, nanosuspension integrated biopolymer-based hybrid injectable hydrogel system may be used to assist solubility and bioavailability enhancement as well as serve as platform to provide controlled drug release.

Keywords:
Nanocrystals, Injectable hydrogel, Hydrophobic drug, Solubility, Bioavailability

Zabojszcza P., Radoń U., Tauzowski P., Robust Optimization of the Steel Single Story Frame, Acta Polytechnica Hungarica, ISSN: 1785-8860, DOI: 10.12700/APH.21.1.2024.1.2, Vol.21, No.1, pp.9-29, 2024

Abstract:
In contemporary design practices, building structures are expected to not only meet safety requirements but also be optimized. However, optimal designs can be highly sensitive to random variations in model parameters and external actions. Solutions that appear effective under nominal conditions may prove inadequate when parameter randomness is considered. To address this challenge, the concept of robust optimization has been introduced, which extends deterministic optimization formulations to incorporate the random variability of parameter values. In this study, we demonstrate the applicability of robust optimization in the design of building structures using a simple orthogonal frame as an example. The static-strength analysis is conducted based on the displacement method, utilizing second-order theory. To assess the safety level of the steel frame, a preliminary evaluation is performed by determining the reliability index and failure probability using the Monte Carlo Method. Robust optimization is then employed, leveraging the second-order response surface. Experimental designs are generated following an optimal Latin hypercube plan. The proposal of a mathematical-numerical algorithm for solving the optimization problem while considering the random nature of design parameters constitutes the innovative aspect of this research.

Keywords:
reliability, robust optimization, second order theory, displacement method

Żyłka A., Dobrych-Sobczak K., Piotrzkowska-Wróblewska H. E., Jędrzejczyk M., Góralski P., Gałczyński J., Zalewska Elwirą B., Dedecjusz M., Ultrasound and cytopathological characteristics of thyroid tumours of uncertain malignant potential — from diagnosis to treatment, Endokrynologia Polska, ISSN: 0423-104X, DOI: 10.5603/ep.98488, Vol.75, No.2, pp.170-178, 2024

Abstract:
Introduction:
The latest World Health Organization (WHO) classification from 2022 distinguishes the division of low-risk thyroid neoplasms such as non-invasive follicular thyroid neoplasm with papillary-like nuclear features (NIFTP), follicular tumour of uncertain malignant potential (FT-UMP), and well-differentiated tumour of uncertain malignant potential (WDT-UMP). The final diagnosis is made postoperatively according to histopathologic results. The aim of the study was the assessment of ultrasonographic and cytopathological features of borderline lesions to predict low-risk tumours preoperatively and plan the optimal treatment for that group of patients.

Material and methods:
A total of 35 patients (30 women; 5 men), aged 20–81 years with a mean age of 49 years, were enrolled in the study. The study evaluated 35 focal lesions of the thyroid gland, classified as low-risk neoplasms according to the WHO 2022 classification: FT-UMP (n = 21), NIFTP (n = 7), and WDT-UMP (n = 7). Ultrasonographic features of nodules including contrast-enhanced ultrasound (CEUS) and elastography were assessed by 2 specialists, and the risk of malignancy was evaluated according to EU-TIRADS-PL classification.

Results:
Of the 35 focal thyroid lesions, most were categorised as low or intermediate risk of malignancy according to EU-TIRADS-PL, with dominant category 3 [n = 13 (37.2%)] and category 4 [n = 15 (42.8%)]. High-risk category 5 was assessed in 7 lesions (20%). In cytopathology nodules were categorised as follows (Bethesda System TBSRTC 2023): Bethesda II (n = 4), Bethesda III (n = 2), Bethesda IV (n = 25), Bethesda V (n = 3), and Bethesda VI (n = 1). In the CEUS study, contrasting patterns dominated compared to the surrounding parenchyma, such as enhancement equal to the parenchyma (66.6%) or intense (28.5%), heterogeneous (61.9%), centripetal (42.8%), or diffuse (57.1%) with fast (33.3%) or compared to parenchyma contrast wash-in (42.8%) and its fast (33.3%) or comparable to thyroid parenchyma wash-out (52.3%).

Conclusions:
The study indicates that lesions with uncertain malignant potential typically present features suggesting low to intermediate risk of malignancy based on EU-TIRADS-PL classification, with dominant cytopathologic Bethesda IV category. However, 20% of lesions were assessed tas EU-TIRADS-PL category 5. Low-risk tumours, including NIFTP, FT-UMP, and WDT-UMP, require careful observation and monitoring post surgical treatment due to their potential for recurrence and metastasis. The preoperatively prediction of borderline tumour may play an important role in proper treatment and follow-up.

Keywords:
thyroid tumour, ultrasound, thyroid cancer, contrast-enhanced-ultrasound

Wu K., Kondra T., Scandolo C., Swapan R., Xiang G., Li C., Guo G., Streltsov A., Resource theory of imaginarity in distributed scenarios, Communications Physics, ISSN: 2399-3650, DOI: 10.1038/s42005-024-01649-y, Vol.7, No.171, pp.1-9, 2024

Abstract:
The resource theory of imaginarity studies the operational value of imaginary parts in quantum states, operations, and measurements. Here we introduce and study the distillation and conversion of imaginarity in distributed scenario. This arises naturally in bipartite systems where both parties work together to generate the maximum possible imaginarity on one of the subsystems. We give exact solutions to this problem for general qubit states and pure states of arbitrary dimension. We present a scenario that demonstrates the operational advantage of imaginarity: the discrimination of quantum channels without the aid of an ancillary system. We then link this scenario to local operations and classical communications(LOCC) discrimination of bipartite states. We experimentally demonstrate the relevant assisted distillation protocol, and show the usefulness of imaginarity in the aforementioned two tasks.

Danila P., van D., Kuniewicz M., Dolega-Dolegowski D., Pręgowska A., Andree A., Dobrzyński H., Proniewska K., Interactive teaching of medical 3D cardiac anatomy: atrial anatomy enhanced by ECG and 3D visualization, Frontiers in Medicine, ISSN: 2296-858X, DOI: 10.3389/fmed.2024.1422017, Vol.11, No.1422017, pp.1-8, 2024

Abstract:
The most commonly applied way of teaching students to convey the foundations of human anatomy and physiology involves textbooks and lectures. This way of transmitting knowledge causes difficulties for students, especially in the context of three-dimensional imaging of organ structures, and as a consequence translates into difficulties with imagining them. Even despite the rapid uptake of knowledge dissemination provided by online materials, including courses and webinars, there is a clear need for learning programs featuring first-hand immersive experiences tailored to suit individual study paces. In this paper, we present an approach to enhance a classical study program by combining multi-modality data and representing them in a Mixed Reality (MR)-based environment. The advantages of the proposed approach have been proven by the conducted investigation of the relationship between atrial anatomy, its electrophysiological characteristics, and resulting P wave morphology on the electrocardiogram (ECG). Another part of the paper focuses on the role of the sinoatrial node in ECG formation, while the MR-based visualization of combined micro-computed tomography (micro-CT) data with non-invasive CineECG imaging demonstrates the educational application of these advanced technologies for teaching cardiac anatomy and ECG correlations.

Keywords:
mixed reality, CineECG, micro-CT, P wave, ECG imaging

Rawat S., Singh P., Jain A., Song S., Yahya M., Savilov S., Diantoro M., Michalska M., Polu A., Singh R., Ionic liquid (1-butyl-1-methylpyrrolidinium trifluoromethanesulfonate) doped polyethylene polymer electrolyte for energy devices, Journal of Materials Science: Materials in Electronics, ISSN: 0957-4522, DOI: 10.1007/s10854-024-13397-4, Vol.35, No.1643, pp.1-10, 2024

Abstract:
This paper provides a comprehensive overview of the influence of 1-Butyl-1-Methylpyrrolidinium Trifluoromethanesulfonate (BMPyrrOTf)-ionic liquid on a new polymer electrolyte where Polyethylene oxide (PEO) as host and ammonium iodide (NH4I) as salt. These IL-doped solid polymer electrolyte were prepared using solution cast technique. Various characterisation techniques have been utilized to evaluate the qualitative and quantitative estimation of polymer electrolyte like Polarized microscopy (POM), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), Linear sweep voltammetry (LSV), Ionic transference no. (tion) and Impedance spectroscopy. Doping IL increases conductivity and highest achieve at 8 wt% of BMPyrrOTF with conductivity value reaches upto 4.15 × 10–5 S/cm at. Using Wagner’s polarization method, Ionic transference measurement support ionic conduction while stable potential window has further affirmed good electrochemical stability of films. The highest conducting IL-enriched polymer electrolyte sandwiched low-cost dye-sensitized solar cells (DSSCs) and electric double layer capacitors (EDLCs) have been developed, and their performance is conveniently appropriate.

Zargarian S., Kupikowska-Stobba B., Kosik-Kozioł A., Bartolewska M., Zakrzewska A., Rybak D., Bochenek K., Osial M., Pierini F., Light-responsive biowaste-derived and bio-inspired textiles: Dancing between bio-friendliness and antibacterial functionality, Materials Today Chemistry, ISSN: 2468-5194, DOI: 10.1016/j.mtchem.2024.102281, Vol.41, pp.102281-1-15, 2024

Abstract:
Functional antibacterial textiles fabricated from a hybrid of organic waste-derived and bio-inspired materials offer sustainable solutions for preventing microbial infections. In this work, we developed a novel antibacterial textile created through the valorization of spent coffee grounds (SCG). Electrospinning and electrospraying techniques were employed to integrate the biowaste within a polymeric nanofiber matrix, ensuring uniform particle distribution and providing structural support for enhanced applicability. Modification with polydopamine (PDA) significantly enhanced the textile's photothermal performance. Specific attention was paid to understanding the relation between temperature change and key variables, including the surrounding liquid volume, textile layer stacking, and applied laser power. Developed platforms demonstrated excellent photothermal stability. While the SCG-based textile demonstrated exceptional biocompatibility, the PDA-modified textile effectively eradicated Staphylococcus aureus (S. aureus) under near-infrared (NIR) irradiation. The developed textiles in our work demonstrate a dynamic balance between biocompatibility and on-demand antibacterial functionality, offering adaptable solutions in accordance with the desired application.

Keywords:
Organic waste valorization, Spent coffee grounds, Micro-nanostructured textiles, Bio-inspired photothermal agents, Polydopamine, Antibacterial textiles

Cofas Vargas L.F., Azevedo Rodrigo M., Poblete S., Chwastyk M., Poma Bernaola A.M.^♦, The GōMartini Approach: Revisiting the Concept of Contact Maps and the Modelling of Protein Complexes, ACTA PHYSICA POLONICA A, ISSN: 0587-4246, DOI: 10.12693/APhysPolA.145.S9, Vol.145, No.3, pp.S9-S20, 2024

Abstract:
We present a review of a series of contact maps for the determination of native interactions in proteins and nucleic acids based on a distance threshold. Such contact maps are mostly based on physical and chemical construction, and yet they are sensitive to some parameters (e.g., distances or atomic radii) and can neglect some key interactions. Furthermore, we also comment on a new class of contact maps that only requires geometric arguments. The contact map is a necessary ingredient to build a robust Gō-Martini model for proteins and their complexes in the Martini 3 force field. We present the extension of a popular structure-based Gō--like approach to the study of protein–sugar complexes, and the limitations of this approach are also discussed. The Gō-Martini approach was first introduced by Poma et al. (J. Chem. Theory Comput. 13, 1366 (2017)) in Martini 2 force field, and recently, it has gained the status of gold standard for protein simulation undergoing conformational changes in Martini 3 force field. We discuss several studies that have provided support for this approach in the context of the biophysical community.

Keywords:
Martini 3,Structure-based coarse-graining,SMFS,biomolecules,GoMartini

Mousavisogolitappeh H., Amini C., Efficient homogenization of honeycomb sandwich panels using orthotropic core simplification and Finite Element-based method: A comparative study, Journal of Composite Materials, ISSN: 0021-9983, DOI: 10.1177/002199832412404, pp.1-13, 2024

Abstract:
Composite materials, particularly honeycomb composites, are widely utilized in various industries, including aerospace, due to their high energy absorption against the impact and exceptional strength-to-weight ratio. This study aims to leverage the plastic and elastic properties of these materials to develop a simplified numerical model that incorporates orthotropic properties for core modeling. By doing so, the need for detailed honeycomb structure modeling is eliminated, resulting in reduced computational costs and time. A comprehensive three-dimensional finite element model, accounting for structural intricacies, is presented based on experimental data from a reputable source (isotropic model) and its equivalent finite element model (orthotropic model). The model is validated by the experimental results, demonstrating good agreement. The study also investigates parameters such as energy absorption, the internal energy of the core and faces, maximum displacement, and maximum contact force under low-velocity impact scenarios with spherical and cylindrical projectiles. These findings highlight the effectiveness of the orthotropic model, particularly in showcasing greater energy absorption in the core of the sandwich panel when subjected to a cylindrical impactor.

Keywords:
honeycomb, sandwich panel, homogenization, finite element analysis, impact

Yonas S., Gicha B.B., Adhikari S., Sabir F.K., Tran V.T., Nwaji N., Gonfa B.A., Teshome Tufa L., Electric-Field-Assisted Synthesis of Cu/MoS2 Nanostructures for Efficient Hydrogen Evolution Reaction, Micromachines, ISSN: 2072-666X, DOI: 10.3390/mi15040495, Vol.15, No.495, pp.1-13, 2024

Abstract:
Molybdenum sulfide–oxide (MoS2, MS) emerges as the prime electrocatalyst candidate demonstrating hydrogen evolution reaction (HER) activity comparable to platinum (Pt). This study presents a facile electrochemical approach for fabricating a hybrid copper (Cu)/MoS2 (CMS) nanos- tructure thin-film electrocatalyst directly onto nickel foam (NF) without a binder or template. The synthesized CMS nanostructures were characterized utilizing energy-ispersive X-ray spectroscopy (EDS), scanning electron microscopy (SEM), X-ray diffraction (XRD), and electrochemical methods. The XRD result revealed that the Cu metal coating on MS results in the creation of an extremely crys-talline CMS nanostructure with a well-defined interface. The hybrid nanostructures demonstrated
higher hydrogen production, attributed to the synergistic interplay of morphology and electron dis-tribution at the interface. The nanostructures displayed a significantly low overpotential of −149 mV at 10 mA cm−2 and a Tafel slope of 117 mV dec−1, indicating enhanced catalytic activity compared to pristine MoS2.This research underscores the significant enhancement of the HER performance and
conductivity achieved by CMS, showcasing its potential applications in renewable energy.

Keywords:
electrodeposition, hydrogen evolution reactions, catalytic activity, Cu/MoS2 nanostructures

Marinelli M., Lanzi M., Quadretti D., Ziai Y., Pierini F., Zanelli A., Riccardo M., Salatelli E., A new alcohol-soluble dye-tetraphenyl porphyrin functionalized copolymer: Inside the role as a third component/cathode interlayer in halogen-free OSCs, REACTIVE AND FUNCTIONAL POLYMERS, ISSN: 1381-5148, DOI: 10.1016/j.reactfunctpolym.2024.105928, Vol.200, pp.105928-1-10, 2024

Abstract:
Development and step-by-step characterizations of a novel cationic thiophene based copolymer (P1buP), including ionic phosphonium salt and dye-tetraphenylporphyrin (TPP) moiety in side chains, with an iconic property of solubility in a wide range of polar solvents is reported. Synthesized by using simple, low-cost, and straightforward procedures, the material is used to fabricate completely halogen-free (i.e., from ethanol) ternary organic solar cells (OSCs), in the presence of an alcohol-soluble ionic 3,4-dialkoxythiophene based homopolymer (P2buP) and a serinol-fullerene derivative (C60-Ser). Indeed, thanks to co-sensitization techniques, where multiple dyes harvest different parts of the solar spectrum, the power conversion efficiency of the best final device dramatically increases up to nearly 5.0%, as the light absorption is usually optimized. Additionally, since the use of a cathode interlayer in OSCs also plays a pivotal role in electron extraction and device stability, a possible application of the ionic TPP material as the interfacial layer is also investigated. Furthermore, to improve and optimize the best performing device, a successful post-metalation with Zn of the porphyrin core is carried out, and a ternary OSC (P1buP:P2buP:C60-Ser = 0.33:0.67:1 w/w) is fabricated, resulting in a photoconversion efficiency (PCE) of ∼6.0%.

Keywords:
Ionic dye-tetraphenylporphyrin, Co-sensitization, Ternary OSCs, Cathode interlayers, Halogen-free deposition

Osial M., Ha G., Vu V., Nguyen P., Nieciecka D., Pietrzyk‑Thel P., Urbanek O., Olusegun S., Wilczewski S.^♦, Giersig M., Do H., Dinh T., One-pot synthesis of magnetic hydroxyapatite (SPION/HAp) for 5-fluorouracil delivery and magnetic hyperthermia, Journal of Nanoparticle Research, ISSN: 1388-0764, DOI: 10.1007/s11051-023-05916-x, Vol.26, No.7, pp.1-23, 2024

Abstract:
This work presents the synthesis and characterization of a composite made of superparamagnetic iron oxide and hydroxyapatite nanoparticles (SPION/HAp) with a well-developed surface for loading anticancer drugs and for use in magnetic hyperthermia and local chemotherapy. The proposed material was obtained by an easy one-pot co-precipitation method with a controlled ratio of SPION to HAp. The morphology was studied by SEM and TEM, indicating rod-like structures for high HAp content in the composite and granule-like structures with increasing SPION. Its crystallinity, elemental composition, and functional groups were determined by X-ray diffraction, EDS, and FT-IR, respectively. The nanocomposite was then stabilized with citrates (CA), polyethylene glycol (PEG), and folic acid (FA) as agents to improve intracellular absorption, while turbidimetric studies confirmed that only citrates effectively stabilized the magnetic carriers to form a colloidal suspension. Subsequently, 5-fluorouracil (5-FU) was loaded into the magnetic carriers and tested in vitro using the L-929 cell line. The studies showed no cytotoxicity of the citrate-stabilized suspension against fibroblasts and some cytotoxicity after 5-FU release. In addition to in vitro studies, the composite was also tested on biomimetic membranes made of DOPC, DOPE, cholesterol, and DOPS lipids using Langmuir trough. The results show that the resulting suspension interacts with biomimetic membranes, while magnetic hyperthermia studies confirm effective heat generation to achieve therapeutic 42–46 °C and improve drug release from magnetic carriers.

Keywords:
SPION, Hydroxyapatite, Magnetic hyperthermia, Drug delivery, 5-fluorouracil, Biomimetic membranes, Nanostructures, Cancer treatment

Jain A., Michalska M., Enhanced electrochemical properties of multiwalled carbon nanotubes modified with silver nanoparticles for energy storage application, MATERIALS CHEMISTRY AND PHYSICS, ISSN: 0254-0584, DOI: 10.1016/j.matchemphys.2024.129200, Vol.317, No.129200, pp.1-9, 2024

Abstract:
This work reports an easy, straightforward, and cost-effective method to synthesize a composite material using multiwalled carbon nanotubes (MWCNTs) and silver nanoparticles (Ag NPs) for application as an electrode in supercapacitors. The objective of this work was to enhance the charge transfer mechanism in supercapacitor cells by introducing the conductive particles in the MWCNT framework. The pivotal studies, like scanning (SEM), and transmission (TEM) electron microscopy, X-ray diffraction (XRD), Raman, and X-ray photoelectron (XPS) spectroscopy confirmed the formation of the composite as well as a successful deposition of Ag NPs on MWCNT. The surface area of the composite was evaluated by using the N2 adsorption-desorption studies and it was found to be of the order of 358 m2 g−1. Electrochemical studies were performed using a two-electrode system. Magnesium ion-based polymer gel electrolyte was used as an electrolyte material. The single electrode-specific capacitance was observed to be ∼31.9 F g−1 with power density and energy density values of ∼4.4 kW kg−1 and 1.2 Wh kg−1, respectively, at a current density of 0.46 A g−1. The cell was stable up to ∼5000 charge-discharge cycles with ∼96% of capacitance retention at the end of 5000 cycles.

Keywords:
Supercapacitor, Gel polymer electrolyte, MWCNTs

A. Hamed M., Fathalian M., Ghorbanzadeh Ahangari M., Shahavi H., DFT study of Ni, Cu, Cd and Ag heavy metal atom adsorption onto the surface of the zinc-oxide nanotube and zinc-oxide graphene-like structure, MATERIALS CHEMISTRY AND PHYSICS, ISSN: 0254-0584, DOI: 10.1016/j.matchemphys.2018.09.016, pp.366-373, 2024

Abstract:
Abstract
In the current article, we investigated adsorption properties of Nickel (Ni), Copper (Cu), Cadmium (Cd) and silver (Ag) heavy metal atoms with zinc oxide (ZnO) nanotube and ZnO-graphene like structures sheet using Ab-initio based density functional theory (DFT) calculations. At first, both nanostructures were optimized and then most stable configuration, adsorption energy and equilibrium distance of each heavy metal with nanostructures were computed via DFT and the results were compared with each other. Our obtained results reveal that ZnO-nanotube had a better adsorbing behavior comparing to ZnO-graphene sheet case by case due to lower equilibrium distance and higher adsorption energy. This nanostructure created a strong binding with Ni, Cu and Ag but adsorption energy for Cd was clearly lower than others. Also, only Ni and Cu could have a chemisorption adsorption with the ZnO-graphene sheet and others showed a nearly weak physisorption adsorption with this nanostructure. The maximum adsorption energy for both ZnO-nanostructures occurred for nickel which were about −3.45 eV and −2.19 eV respectively. The minimum adsorption energy for ZnO nanotube occurred with Cd (−1.3 eV) while for ZnO-graphene sheet it occurred with Zn (−0.15 eV). In almost all items equilibrium distance decreased with increasing in adsorption energy. Moreover, we generated density of state (DOS) diagrams to investigate the electrical properties of studied structures.

Keywords:
Zinc-oxideDFT dsorption Heavy metal atoms DOS

Grigoryan N., Chudziński P., Role of electron-electron interactions in electron emission from nanotube materials, PHYSICAL REVIEW MATERIALS, ISSN: 2475-9953, DOI: 10.1103/PhysRevMaterials.8.016003, Vol.8, pp.1-16, 2024

Abstract:
Nanotubes and nanorods have been recently established as very good materials to work as electron sources in a field emission (FE) process. These are one-dimensional materials and electron-electron interactions are expected to play a crucial role in their physics. Here we study the influence of electron-electron interactions on the field emission. We study the problem in the low energy regime; thus we need to abandon the antiadiabatic approximation and derive tunneling amplitude for a finite duration of the tunneling process. In this work we identified the parameters when exact analytic expression for tunneling current can be given. We obtained formalism that enables one to capture at the same time the collective effects due to electron-electron interactions and thermionic emission. Our results reveal that different types of nanotubes, and their minigap/compressibility parameters, can be easily distinguished based on FE measurements on these materials.

Krajewski M., Lewińska S., Kubacki J., Sikora M., Sobczak K., Tokarczyk M., Ślawska-Waniewska A., Solvent-depended magnetic-field-induced synthesis of iron nanochains, Materials Letters, ISSN: 0167-577X, DOI: 10.1016/j.matlet.2024.137533, Vol.377, No.137533, pp.1-4, 2024

Abstract:
This work presents a synthesis of iron nanochains through magnetic-field-induced reduction reaction performed with sodium borohydride in water, ethanol and isopropanol. After their preparation, the nanomaterials obtained in three different processes are washed several times in ethanol and acetone to remove side-products. The performed cleaning step is very sufficient for water-based synthesis of iron nanochains. In contrary, the nanostructures obtained in ethanol and isopropanol contain a significant amount of sodium chlorides which is hard to dispose. Moreover, the use of ethanol and isopropanol solvents causes the reduction of nanochains’ diameters. Both the presence of sodium chlorides and the reduction of diameter size result in the decrease of saturation magnetization of iron nanochains and the increase of their coercivities.

Keywords:
One-dimensional nanostructures, Iron nanochains, Magnetic materials, Magnetic-field-induced synthesis

Zhang Q., Hou J., Chao L., Jankowski Ł., An X., Duan Z., Fast calculation of vehicle-road coupled response based on moving frequency response function, ADVANCES IN STRUCTURAL ENGINEERING, ISSN: 1369-4332, DOI: 10.1177/13694332241298016, pp.1-15, 2024

Abstract:
Vehicle–road coupled system is inherently time–varying, and its responses are traditionally calculated using time–domain methods which involves significant computational effort. Aiming to improve the efficiency of response calculation for the coupled system, this paper proposes a fast calculation method in frequency domain, based on the newly developed moving frequency response function (FRF). Firstly, considering the vibration characteristics of an infinitely long road, the road response is straightforwardly expressed using the road impulse response function (IRF). Subsequently, the concept of the road moving IRF is proposed and derived with respect to the moving observation points. The moving FRF is then obtained by applying Fourier transform, which allows the responses of the road moving observation points to be established in frequency domain for fast calculation under moving loads. Furthermore, by analyzing the vehicle–road coupled vibrations, based on the vehicle FRF and road moving FRF, a formula for the vehicle–road coupling force is derived in frequency domain, along with an expression for the responses at the vehicle–road contact points. Finally, the approach is illustrated in numerical simulations of vehicle–road coupled systems, and its computational efficiency and accuracy are verified through comparison with currently popular methods.

Keywords:
vehicle-road coupled vibration, frequency domain, frequency response function, impulse response function, numerical simulations

Glinicki M. A., Jóźwiak-Niedźwiedzka D., Brandt A., Diagnostics of premature damage to surface-hardened industrial concrete floors, CEMENT, WAPNO, BETON, ISSN: 1425-8129, DOI: 10.32047/CWB.2023.28.6.4, Vol.28, No.6, pp.409-427, 2024

Abstract:
The article presents the diagnostic results on surface-hardened industrial concrete floors. Selected examples of floors showcased premature damage to surface layers, characterized by intense dusting, delamination, and local spalling, while the structural system remained unaffected. Quantitative petrographic analysis of concrete was applied to core specimens from the floors, involving the examination of digital images from a polarizing optical microscope and a scanning electron microscope. The hardening compound and powdered specimens of the cement matrix were characterized using differential thermal analysis and X-ray diffraction. A multiple microindentation method was employed to assess local variations in mechanical properties. Concrete cross-section analysis revealed areas with a non-uniform distribution of air voids, identified regions exhibiting increased porosity, highlighted areas of cracking in the concrete, indicated local variability in the phase composition of cement hydration products, and pointed out the presence of carbonated areas. The causes of the damage were discussed based on these findings,. The crucial role of quantitative petrographic analysis in diagnosing premature surface damage to industrial floors was demonstrated.

Keywords:
concrete, delamination, quantitative microscopy, porosity, industrial floors, dusting, surface hardening

Makowska K., Kowalewski Z.L., Evaluation of microstructure and mechanical properties of ferromagnetic structural steels using Barkhausen noise, JOURNAL OF THEORETICAL AND APPLIED MECHANICS, ISSN: 1429-2955, DOI: 10.15632/jtam-pl/191444, Vol.62, No.3, pp.587-599, 2024

Abstract:
The paper presents an attempt to assess the microstructure and mechanical properties by means of the magnetic Barkhausen noise (MBN) method. The experimental program was supplemented by metallographic examinations and hardness tests. It has been concluded that the MBN method can be used for non-destructive characterization of both single and two-phase steels used in the automotive industry. It was also found that the microstructure of steel can be distinguished using the shape of BN envelope and two magnetic parameters: Ubpp1 and Ug1. On the other hand, the hardness and ultimate tensile strength are described successfully by the Ug1/Ubpp1 parameter.

Keywords:
microstructure, mechanical properties, Barkhausen noise, non-destructive method

Zawidzka E., Szklarski J. T., Kobaka J., Zawidzki M., Przykłady Małej Architektury w oparciu o System Arm-Z, POMIARY - AUTOMATYKA - ROBOTYKA. PAR, ISSN: 1427-9126, DOI: 10.14313/PAR_252/73, Vol.2, pp.73-80, 2024

Abstract:
Arm-Z to koncepcja hiperredundantnego manipulatora robotycznego opartego na sekwencji szeregowo połączonych identycznych modułów. Każdy moduł ma tylko jeden stopień swobody (1-DOF) – skręt względem poprzedniego. Moduły systemu Arm-Z mogą być masowo produkowane i łatwo wymieniane w przypadku awarii. Sterowanie Arm-Z jest stosunkowo trudne, dlatego zwykle wymaga stosowania metod inteligencji obliczeniowej. W artykule przedstawiono kilka koncepcji kinetycznych obiektów małej architektury opartych na Arm-Z: spiralną kolumnę o regulowanej wysokości, system nadążania słonecznego, kinetyczną rzeźbę bioniczną i kinetyczny zraszacz/fontannę. Prezentowane koncepcje są zasadniczo nisko-technologiczne (“low-tech”). W każdym przypadku moduł bazowy jest przymocowany do podstawy (podłoża). Dla prostoty napęd jest przykładany bezpośrednio do pierwszego modułu, a następnie przenoszony za pomocą wewnętrznych przekładni na kolejne moduły. Każdy moduł jest wyposażony w zestaw cylindrycznych i stożkowych kół zębatych z zębami prostymi o profilu spiralnym (do połączeń miedzy modułami).

Keywords:
Arm-Z, hiperredundancja, manipulator, mała architektura, systemy modularne

Haponova O.^♦, Tarelnyk V., Zhylenko T., Tarelnyk N., Vasilenko O., Pavlovskyi S., Improvement of the Quality Parameters of the Surface Layers of Steel Parts after Aluminizing by Electrospark Alloying. Pt. 2. Results of the Influence of the Productivity of Aluminizing by Electrospark Alloying on the Structural State of Steel Surfaces, Metallofizika i Noveishie Tekhnologii, ISSN: 1024-1809, DOI: 10.15407/mfint.46.04.0313, Vol.46, No.4, pp.313-324, 2024

Abstract:
In the article, investigation is carried out at the second stage of aluminizing, when a consistent substance containing aluminium powder (the first option) or graphite powder and aluminium powder (the second option) is applied to the surface that has undergone aluminizing at the first stage, before further electrospark alloying with an aluminium electrode, and, regardless of the drying of the consistent substance, the aluminizing process is carried out at a discharge energy of 0.52–2.6 J and a productivity of 1.0–2.0 cm2/min, while the discharge energy and productivity are chosen such that the surface roughness decreases by ≅ 3–4 times. At the second stage aluminizing for both options, when using a consistent substance that contains aluminium powder or aluminium powder and graphite powder, the microhardness of the ‘white layer’ and the diffusion zone are increased (to a greater degree when graphite is present in the consistent substance), the surface roughness is decreased, and the integrity of the coating is of 100%. Before practical implementation, it is recommended to carry out the aluminizing process according to the first option at the discharge energy Wp = 4.6–6.8 J, using a consistent substance containing aluminium powder and graphite powder at the second stage.

Keywords:
electrospark alloying,aluminizing,productivity,surface layer,quality,structure,roughness,microhardness,thickness of the white layer,coating continuity

Olusegun S., Souza Guilhermina de O., Sutuła S., Osial M., Krajewski M.^♦, Pękała M., Sobczak K., Felis E., Krysiński P., Methotrexate anti-cancer drug removal using Gd-doped Fe3O4: Adsorption mechanism, thermal desorption and reusability, Groundwater for Sustainable Development, ISSN: 2352-801X, DOI: 10.1016/j.gsd.2024.101103, Vol.25, pp.1-9, 2024

Keywords:
Adsorption,Thermal desorption,Gd-doped Fe3O4,Methotrexate

Kopeć M., Kukla D., Wyszkowski M., Kowalewski Z.L., High temperature fatigue testing of turbine blades, FATIGUE OF AIRCRAFT STRUCTURES, ISSN: 2300-7591, DOI: 10.2478/fas-2023-0002, Vol.15, pp.22-27, 2024

Abstract:
This paper evaluates the efficacy of a patented grip for high-temperature fatigue testing by establishing the S-N curve for full-scale nickel-based turbine blades under simulated environmental conditions. Initially, a bending test assessed the stress-displacement characteristics of the component. This was followed by a series of fatigue tests at 950°C, using cyclic bending with force amplitudes from 5.2 kN to 6.6 kN and a constant frequency of 10 Hz. The setup, integrating the grip into a standard testing machine,
proved effective for high-temperature tests and successfully determined the service life of full-scale components.

Keywords:
fatigue,high temperature,turbine blade,full-scale fatigue test

Nguyen Thu P., Nguyen Thi T., Pham Thi N., Do Thi H., Osial M., Minh Khoi L., Hong Nam N., Le Phuong T., Dinh Thi Mai T., Metal organic framework composite based on CuBTC/SPION for application in methylene blue adsorption, CLEAN Soil Air Water, ISSN: 1863-0669, DOI: 10.1002/clen.202300018, Vol.2300018, pp.1-17, 2024

Keywords:
cationic dyes, magnetic separation, MOF, nanocomposites

Keigo Y., Ario I., Zawidzki M., Yuta H., Optimization Problem of the size-scale for a Foldable Chain Scissors Structure based on Stress Analysis, Journal of Physics: Conference Series, ISSN: 1742-6596, DOI: 10.1088/1742-6596/2647/4/042005, Vol.2647, pp.1-9, 2024

Abstract:
Emergency bridges are used to restore the lifeline of damaged bridges after disasters. However, the design specification of existing emergency bridges do not afford rapid bridging. Therefore, a trial deployable bridge (Scissors Bridge) using a scissors structure that folds compactly has been experimentally produced. But, the assembly process for the bridge has not been considered and there are no practical design examples or design methods for scissors bridges. In this paper, as for existing bridges, we established a design method of scissors bridges when considering the live load. In addition, a general-purpose member cross-sectional dimension optimization method, aimed at minimizing weight, was developed and proposed. Considering the problem of insufficient strength of the scissors bridge, the optimum reinforcing pattern and its cross-sectional dimensions were determined through two methods of reinforcement and optimization of the cross-sectional dimension of the member. Finally, a trial of practical design calculation was performed using the results of the study to determine whether a scissors bridge satisfying the standard of the Specifications for Highway Bridges can be designed.

Keywords:
scissors structure,deployable bridge,stress analysis

Glinicki M. A., Jóźwiak-Niedźwiedzka D., Brandt A., Dziedzic K., Ilościowa charakterystyka mikrostruktury betonu w diagnostyce powierzchniowych uszkodzeń posadzki przemysłowej / Quantitative assessment of concrete microstructure in tlie diagnosis of surface damage to industrial floor, INŻYNIERIA I BUDOWNICTWO, ISSN: 0021-0315, DOI: 10.5604/01.3001.0054.7476, Vol.80, No.6, pp.400-404, 2024

Abstract:
Przedstawiono wyniki oceny diagnostycznej posadzki przemysłowej przy wykorzystaniu metodyki ilościowej oceny mikrostruktury betonu. Objawy uszkodzeń obejmowały pylenie powierzchniowe i delaminację warstwy utwardzonej. Przeprowadzono analizę petrograficzną składu betonu w próbkach-odwiertach. Zaobserwowano nadmierne napowietrzenie betonu, gromadzenie się porów powietrznych i występowanie ukierunkowanych spękań, miejscową zmienność składu fazowego produktów hydratacji cementu, w tym występowanie obszarów o intensywnej karbonatyzacji, co wpływało na przedwczesne uszkodzenia powierzchniowe.
Diagnostic assessment of industrial floor using the methodology of quantitative evaluation of concrete microstructure is presented. Symptoms of damage included surface dusting and delamination of the top layer. A petrographic analysis of the concrete composition in core specimens was carried out. Excessive air content, accumulation of air voids and the occurrence of oriented cracks, local variability of the phase composition of cement hydration products, including the occurrence of carbonated areas were observed and associated with the premature surface damage.

Keywords:
delaminacja, mikroskopia ilościowa, porowatość, posadzki betonowe, utwardzenie powierzchniowe, delamination, quantitative microscopy, porosity, concrete floors, surface hardening

Kleiber M., Niekontrolowany rozwój AI jest zagrożeniem dla ludzkości, NAUKA, ISSN: 1231-8515, DOI: 10.24425/nauka.2024.151207, Vol.2, pp.91-94, 2024

Keywords:
sztuczna inteligencja,globalne zagrożenia,interfejs mózg-komputer,potrzeba globalnych regulacji

Kleiber M., Tworzymy uniwersytety przyszłości, NAUKA, ISSN: 1231-8515, DOI: 10.24425/nauka.2024.151204, Vol.2, pp.63-66, 2024

Keywords:
współpraca,mobilność studentów,synergia wyników badań,wspólne dyplomy

Ray A., Thu Thi Minh T., Santos Natividade Rita d., Azevedo Rodrigo M., Joshua S., Danahe M., Koehler M., Simon P., Qingrong Z., Fabrice B., Laurent G., Poma Bernaola A.M., Alsteens D., Single-Molecule Investigation of the Binding Interface Stability of SARS-CoV-2 Variants with ACE2, ACS Nanoscience Au, ISSN: 2694-2496, DOI: 10.1021/acsnanoscienceau.3c00060, pp.1-10, 2024

Abstract:
The SARS-CoV-2 pandemic spurred numerous research endeavors to comprehend the virus and mitigate its global severity. Understanding the binding interface between the virus and human receptors is pivotal to these efforts and paramount to curbing infection and transmission. Here we employ atomic force microscopy and steered molecular dynamics simulation to explore SARS-CoV-2 receptor binding domain (RBD) variants and angiotensin-converting enzyme 2 (ACE2), examining the impact of mutations at key residues upon binding affinity. Our results show that the Omicron and Delta variants possess strengthened binding affinity in comparison to the Mu variant. Further, using sera from individuals either vaccinated or with acquired immunity following Delta strain infection, we assess the impact of immunity upon variant RBD/ACE2 complex formation. Single-molecule force spectroscopy analysis suggests that vaccination before infection may provide stronger protection across variants. These results underscore the need to monitor antigenic changes in order to continue developing innovative and effective SARS-CoV-2 abrogation strategies.

Keywords:
SARS-Cov-2,Molecular Dynamics ,Immunity,SMFS,Nanomechanics,Free Energy,Jarzynski,Receptor,Protein complex,interfaces

Pręgowska A., Perkins M., Artificial intelligence in medical education: Typologies and ethical approaches, Ethics & Bioethics (in Central Europe), ISSN: 1338-5615, DOI: 10.2478/ebce-2024-0004, Vol.14, No.1-2, pp.96-113, 2024

Abstract:
Artificial Intelligence (AI) has an increasing role to play in medical education and has great potential to revolutionize health professional education systems overall. However, this is accompanied by substantial questions concerning technical and ethical risks which are of particular importance because the quality of medical education has a direct effect on physical and psychological health and wellbeing. This article establishes an overarching distinction of AI across two typological dimensions, functional and humanistic. As indispensable foundations, these are then related to medical practice overall, and forms of implementation with examples are described in both general and medical education. Increasingly, the conditions for successful medical education will depend on an understanding of AI and the ethical issues surrounding its implementation, as well as the formulation of appropriate guidelines by regulatory and other authorities. Within that discussion, the limits of both narrow or Routine AI (RAI) and artificial general intelligence or Decision AI (DAI) are examined particularly in view of the ethical need for Trustworthy AI (TAI) as part of the humanistic dimension. All stakeholders, from patients to medical practitioners, managers, and institutions, need to be able to trust AI, and loss of confidence could be catastrophic in some cases.

Keywords:
artificial intelligence typology,artificial intelligence in medicine,ethics,bioethics,medical education,health professional education

Michalska M., Pavlovsky J., Scholtzova E., Peter S., Vlastimil M., Bochenek K., Jain A., Koki C., Takeharu Y., Hirotomo N., A facile approach for fabricating g-C3N4-based materials as metal-free photocatalysts, Results in Engineering, ISSN: 2590-1230, DOI: 10.1016/j.rineng.2024.103109, Vol.24, No.103109, pp.1-14, 2024

Abstract:
This study presents a novel, straightforward approach for synthesizing graphitic carbon nitrides (g-C3N4, g-CN) from melamine, requiring merely 30 min of thermal holding at temperatures ranging from 400 to 550 °C in an atmosphere comprising either nitrogen or air. Elemental analysis, X-ray powder diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), diffuse reflectance (UV–Vis DRS), photoluminescence (PL) spectroscopy and scanning electron microscopy (SEM) were employed to assess the quality of the as-prepared powders. Furthermore, theoretical calculations utilizing the Density Functional Theory (DFT) method were conducted to reinforce the experimental findings of the research. A further investigation of the thermal stability of the selected sample was conducted using a unique combination of thermogravimetry–coupled with differential scanning calorimetry, quadrupole mass spectrometry (TG-DSC-MS) and advanced temperature-programmed desorption (TPD) analyzes. The current study focuses on the effect of synthesis conditions (temperature and nitrogen/air environment) on the structure, morphology, and photocatalytic performance of g-C3N4 compounds synthesized using this approach. The g-C3N4-based materials were examined as potential photocatalysts using the acid orange 7 (AO7) photodegradation methodology. To enable comparison of the photodegradation experiments, two separate lamps with wavelengths of 360 nm (UV light) and 420 nm (VIS light) were utilized. The primary objective was to present a novel method for the synthesis of g-C3N4-based materials. This was achieved by demonstrating that organic composites generated at lower temperatures have the best photocatalytic capabilities. Furthermore, the approach to achieving high-quality photocatalysts was shown to be cost-effective, environmentally friendly, and scalable.

Duy Hai B., Do Chung P., Osial M., Pisarek M., Tycova A., Pham Thi N., Thi Thanh Huong N., Vu Thi T., Thi Thanh Ngan N., Ag/Fe3O4 bifunctional nanocomposite for SERS detection of non-steroidal anti-inflammation drug diclofenac , Vietnam Journal of Science and Technology, ISSN: 2815-5874, DOI: 10.15625/2525-2518/20157, Vol.62, No.4, pp.531-541, 2024

Keywords:
AgNPs, Fe3O4, bifunctional, SERS, NSAIDS

Ziai Y., Lanzi M., Rinoldi C., Zargarian S.S., Zakrzewska A., Kosik-Kozioł A., Nakielski P., Pierini F., Developing strategies to optimize the anchorage between electrospun nanofibers and hydrogels for multi-layered plasmonic biomaterials, Nanoscale Advances, ISSN: 2516-0230, DOI: 10.1039/d3na01022h, Vol.6, No.4, pp.1246-1258, 2024

Abstract:
Polycaprolactone (PCL), a recognized biopolymer, has emerged as a prominent choice for diverse biomedical endeavors due to its good mechanical properties, exceptional biocompatibility, and tunable properties. These attributes render PCL a suitable alternative biomaterial to use in biofabrication, especially the electrospinning technique, facilitating the production of nanofibers with varied dimensions and functionalities. However, the inherent hydrophobicity of PCL nanofibers can pose limitations. Conversely, acrylamide-based hydrogels, characterized by their interconnected porosity, significant water retention, and responsive behavior, present an ideal matrix for numerous biomedical applications. By merging these two materials, one can harness their collective strengths while potentially mitigating individual limitations. A robust interface and effective anchorage during the composite fabrication are pivotal for the optimal performance of the nanoplatforms. Nanoplatforms are subject to varying degrees of tension and physical alterations depending on their specific applications. This is particularly pertinent in the case of layered nanostructures, which require careful consideration to maintain structural stability and functional integrity in their intended applications. In this study, we delve into the influence of the fiber dimensions, orientation and surface modifications of the nanofibrous layer and the hydrogel layer's crosslinking density on their intralayer interface to determine the optimal approach. Comprehensive mechanical pull-out tests offer insights into the interfacial adhesion and anchorage between the layers. Notably, plasma treatment of the hydrophobic nanofibers and the stiffness of the hydrogel layer significantly enhance the mechanical effort required for fiber extraction from the hydrogels, indicating improved anchorage. Furthermore, biocompatibility assessments confirm the potential biomedical applications of the proposed nanoplatforms.

Pulov V., Kowalczuk W., Mladenov I.M., Geometry of Enumerable Class of Surfaces Associated with Mylar Balloons, Mathematics, ISSN: 2227-7390, DOI: 10.3390/math12040557, Vol.12, No.4, pp.557-1-18, 2024

Abstract:
In this paper, the very fundamental geometrical characteristics of the Mylar balloon like the profile curve, height, volume, arclength, surface area, crimping factor, etc. are recognized as geometrical moments ℐ

Keywords:
Mylar balloons, geometrical moments, elliptic integrals, beta and gamma functions, recursive relations, crimping factor, lemniscate constant