Institute of Fundamental Technological Research

Postek E. W., Sadowski T., Guhathakurta J., Steel Ball Impact on SiC/AlSi12 Interpenetrated Composite by Peridynamics, Materials, ISSN: 1996-1944, DOI: 10.3390/ma18020290, Vol.18, No.290, pp.1-25, 2025

Abstract:
Silicon carbide and an aluminum alloy (SiC/AlSi12) composite are obtained during the pressurized casting process of the aluminum alloy into the SiC foam. The foam acts as a high-stiffness skeleton that strengthens the aluminum alloy matrix. The goal of the paper is to describe the behavior of the material, considering its internal structure. The composite’s structure is obtained by using X-ray computing tomography. The thorough computer tomography analysis allows for the high-precision identification of the shape and distribution of the pores in the matrix. The computational model prepared in the framework of the peridynamics method takes into account the pores and their shape. The pores in the structure appeared in the fabrication process. The impact of a steel ball is studied employing the peridynamics method. The sample without any porosity and a porous one were considered during the analyses. It has been found that the porosity of the matrix influences the plastic strain development, but the damage parameter in the skeleton is not affected significantly. The damage advancement in the skeleton during the process is practically identical in both cases. The equivalent plastic strain field is much smoother in a non-porous matrix than in a porous one. The porous matrix has high equivalent
plastic strain concentrations, much higher than the non-porous matrix. The shape of the sample is affected by the porosity of the matrix. The sample with a porous matrix tends to fragment, and it shows a tendency towards spallation when in close contact to the surface with the base.

Keywords:
interpenetrated composite, impact, damage, perydynamics

Fathalian M., Darban H., Postek E. W., Atomistic insights into tensile damage of functionally Graded Al-SiC composites, INTERNATIONAL JOURNAL OF MECHANICAL SCIENCES, ISSN: 0020-7403, DOI: 10.1016/j.ijmecsci.2025.110012, Vol.288, pp.110012-1-110012-16, 2025

Abstract:
The tensile behavior and damage mechanisms of functionally graded (FG) Al-SiC composites are systematically investigated using molecular dynamics (MD) simulations. A comprehensive set of large-scale MD simulations is conducted on FG composites composed of three layers reinforced with different volume fractions of randomly distributed three-dimensional SiC particles. This work introduces a novel approach by modeling the reinforcement ceramic as three-dimensional particles, thereby more accurately representing the FG composite microstructure. Predictions of the model for Young's moduli of composites align with experimental data from the literature. The yield and ultimate tensile strength are overestimated due to the high applied strain rates and idealized crystal structures used in the simulations, which lack common defects such as vacancies and dislocations. The model is utilized to study the influence of reinforcement particle shape, size, orientation, and distribution on the tensile and damage behavior of composites. The FG composites reinforced with cubic particles demonstrate lower yield and tensile strength than those with spherical particles, primarily due to the high-stress concentrations around the corners of the cubic reinforcements. Reducing the size of SiC particles enhances the elastic modulus, yield, and tensile strength of the FG composites. It is shown that the stiffness of the FG composites reinforced with rectangular prisms can be effectively tailored by changing the orientation of the reinforcements. When SiC rectangular prisms are aligned along the tensile direction, the resulting FG composites exhibit higher yield and tensile strength. This work offers fundamental atomistic insights that help design FG composites with better mechanical performance.

Maździarz M., Suitability of Available Interatomic Potentials for Sn to Model Its 2D Allotropes, Journal of Computational Chemistry, ISSN: 0192-8651, DOI: 10.1002/jcc.70032, Vol.46, No.2, pp.e70032-1-e70032-12, 2025

Abstract:
The suitability of a range of interatomic potentials for elemental tin was evaluated in order to identify an appropriate potential for modeling the stanene (2D tin) allotropes. Structural and mechanical features of the flat (F), low-buckled (LB), high-buckled (HB), full dumbbell (FD), trigonal dumbbell (TD), honeycomb dumbbell (HD), and large honeycomb dumbbell (LHD) monolayer tin (stanene) phases, were gained by means of the density functional theory (DFT) and molecular statics (MS) calculations with ten different Tersoff, modified embedded atom method (MEAM), and machine-learning-based (ML-IAP) interatomic potentials. A systematic quantitative comparison and discussion of the results is reported.

Keywords:
2D materials, DFT, interatomic potentials

Orthey A., Dieguez P., Makuta O., Remigiusz A., High-dimensional monitoring and the emergence of realism via multiple observers, Physical Review A, ISSN: 2469-9926, DOI: 10.1103/PhysRevA.111.012220, Vol.111, No.012220, pp.1-10, 2025

Abstract:
Correlation is the basic mechanism of every measurement model, as one never accesses the measured system directly. Instead, correlations are created, codifying information about the measurable property into the environment. Here, we address the problem of the emergence of physical reality from the quantum world by introducing a model that interpolates between weak and strong nonselective measurements for qudits. By utilizing Heisenberg-Weyl operators, our model suggests that independently of the interaction intensity between the system and the environment, full information about the observable of interest can always be obtained by making the system interact with many environmental qudits, following a quantum Darwinism framework.

Szostakowska-Rodzoś M., Chmielarczyk M., Weronika Z., Fabisiewicz A., Kurzyk A., Myśliwy I., Kozaryna Z., Postek E. W., Grzybowska E., Plasticity of Expression of Stem Cell and EMT Markers in Breast Cancer Cells in 2D and 3D Culture Depend on the Spatial Parameters of Cell Growth; Mathematical Modeling of Mechanical Stress in Cell Culture in Relation to ECM Stiffness, Bioengineering, ISSN: 2306-5354, DOI: 10.3390/bioengineering12020147, Vol.147, No.12, pp.1-22, 2025

Abstract:
The majority of the current cancer research is based on two-dimensional cell cultures and animal models. These methods have limitations, including different expressions of key factors involved in carcinogenesis and metastasis, depending on culture conditions. Addressing these differences is crucial in obtaining physiologically relevant models. In this manuscript we analyzed the plasticity of the expression of stem cell and epithelial/mesenchymal markers in breast cancer cells, depending on culture conditions. Significant differences in marker expression were observed in different growth models not
only between 2D and 3D conditions but also between two different 3D models. Differences observed in the levels of adherent junction protein E-cadherin in two different 3D models suggest that spatial parameters of cell growth and physical stress in the culture may affect
the expression of junction proteins. To provide an explanation of this phenomenon on the grounds of mechanobiology, these parameters were analyzed using a mathematical model of the 3D bioprinted cell culture. The finite element mechanical model generated in this study includes an extracellular matrix and a group of regularly placed cells. The single-cell model comprises an idealized cytoskeleton, cortex, cytoplasm, and nucleus. The analysis of the model revealed that the stress generated by external pressure is transferred between the cells, generating specific stress fields, depending on growth conditions. We have analyzed and compared stress fields in two different growth conditions, each corresponding to a different elasticity of extracellular matrix. We have demonstrated that soft matrix conditions produce more stress than a stiff matrix in the single cell as well as in cellular spheroids. The observed differences can explain the plasticity of E-cadherin expression in response to mechanical stress. These results should contribute to a better understanding of the differences between various growth models.

Keywords:
breast cancer, E-cadherin, mechanical stress, mathematical modeling, 3D bioprinting, complex systems, cell modeling, finite element method