mgr inż. Mostafa Fathalian |
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Ostatnie publikacje
1. | 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 Streszczenie: This study comprehensively investigates Al2O3’s mechanical properties, focusing on fracture toughness, surface energy, Young’s modulus, and crack propagation. The density functional Słowa kluczowe: Al2O3, fracture toughness, density functional theory, molecular dynamics Afiliacje autorów:
| 140p. | |||||||||||||
2. | Fathalian M., Postek E.W., Sadowski T.♦, Mechanical and Electronic Properties of Al(111)/6H-SiC Interfaces: A DFT Study, Molecules, ISSN: 1420-3049, DOI: 10.3390/molecules28114345, Vol.28, No.11, pp.4345-1-19, 2023 Streszczenie: A density functional theory (DFT) calculation is carried out in this work to investigate the effect of vacancies on the behavior of Al(111)/6H SiC composites. Generally, DFT simulations with appropriate interface models can be an acceptable alternative to experimental methods. We developed two modes for Al/SiC superlattices: C-terminated and Si-terminated interface configurations. C and Si vacancies reduce interfacial adhesion near the interface, while Al vacancies have little effect. Supercells are stretched vertically along the z-direction to obtain tensile strength. Stress–strain diagrams illustrate that the tensile properties of the composite can be improved by the presence of a vacancy, particularly on the SiC side, compared to a composite without a vacancy. Determining the interfacial fracture toughness plays a pivotal role in evaluating the resistance of materials to failure. The fracture toughness of Al/SiC is calculated using the first principal calculations in this paper. Young’s modulus and dominant surface energy are calculated to obtain the fracture toughness. Young’s modulus is higher for C-terminated configurations than for Si-terminated configurations. Surface energy plays a dominant role in determining the fracture toughness process. Finally, to better understand the electronic properties of this system, the density of states (DOS) is calculated. Słowa kluczowe: DFT,interface,surface energy,young’s modulus,fracture toughness Afiliacje autorów:
| 140p. | |||||||||||||
3. | A. Hamed M.♦, Ghorbanzadeh Ahangari M.♦, Dadrasi A.♦, Fathalian M., Theoretical studies on the mechanical and electronic properties of 2D and 3D structures of Beryllium-Oxide graphene and graphene nanobud, APPLIED SURFACE SCIENCE, ISSN: 0169-4332, DOI: 10.1016/j.apsusc.2019.01.083, pp.https://doi.org/10.1016/j.apsusc.2019.01.083-https://doi.org/10.1016/j.apsusc.2019.01.083, 2019 Streszczenie: Abstract Słowa kluczowe: Young’s modulus Afiliacje autorów:
| 140p. | |||||||||||||
4. | Fathalian M., Ghorbanzadeh Ahangari M.♦, Fereidoon A.♦, Effect of Nanosilica on the Mechanical and Thermal Properties of Carbon Fiber/Polycarbonate Laminates
, Fibers and Polymers, ISSN: 1229-9197, DOI: 10.1007/s12221-019-1158-0, pp.https://doi.org/10.1007/s12221-019-1158-0-https://doi.org/10.1007/s12221-019-1158-0, 2019 Streszczenie: An investigation of nanosilica (SiO2), influencing the mechanical and thermal attributes of carbon fiber (CF)/polycarbonate (PC) laminates, is described in this study. Polycarbonates with four different weight percentages of SiO2 (PC-SiO2, 0.1, 0.3, 0.6 and 1.0 wt%) were prepared using a melt-blending technique. The PC-SiO2 nanocomposites were then used to fabricate planar CF/PC laminates through a hot hydraulic press machine. The prepared laminates were characterized by a number of different techniques; namely, tensile tests, dynamic mechanical thermal analysis (DMTA), differential scanning calorimetry (DSC), thermal gravimetric analysis (TGA) and scanning electron microscopy (SEM). The tensile test findings revealed that when 0.6 wt% of SiO2 was added to the laminate layers, the maximum tensile modulus and yield stress were achieved. The mechanical properties obtained by DMTA supported the tensile test results. It should be noted that the 0.6 wt% of SiO2 had the highest mechanical properties. The DMTA and DSC analyses were used to measure the glass transition temperatures (Tg) of laminates. We found that with the addition 0.6 wt% of SiO2 the Tg increased to approximately 1°C compared to 0 °C for the neat CF/PC laminate, meaning that by adding up 0.1 to 0.6 nanosilica to the polymer, the value Tg first increased and then decreased. To characterize the mass loss, the thermal degradation of polycarbonate influenced by nitrogen was investigated through TGA. According to our TGA results, the highest thermal stability was achieved by adding 0.6 wt% of SiO2 to the PC. Słowa kluczowe: Polycarbonate,Fiber Carbon,SiO2 Afiliacje autorów:
| 70p. | |||||||||||||
5. | A. Hamed M.♦, Ghorbanzadeh Ahangari M.♦, Salmankhani A.♦, Fathalian M., Density functional theory study of adsorption properties of non-carbon, carbon and functionalized graphene surfaces towards the zinc and lead atoms, PHYSICA E-LOW-DIMENSIONAL SYSTEMS & NANOSTRUCTURES, ISSN: 1386-9477, DOI: 10.1016/j.physe.2018.08.010, pp.https://doi.org/10.1016/j.physe.2018.08.010-https://doi.org/10.1016/j.physe.2018.08.010, 2018 Streszczenie: Abstract Słowa kluczowe: DFT ,Adsorption Afiliacje autorów:
| 25p. |
Abstrakty konferencyjne
1. | Fathalian M., Postek E., Tahani M., Sadowski T.♦, Investigating the Mechanical Characteristics of Al2O3 through Density Functional Theory and Molecular Dynamics, KUKDM 2024, Konferencja Użytkowniów Komputerów Dużej Mocy, 2024-03-13/03-15, Zakopane (PL), pp.17-18, 2024 Streszczenie: This exploration highlights the essential role of ceramics, nota bly aluminum oxide (Al2O3 ), Słowa kluczowe: alumina, mechanical properties, crack development, density functional theory, molecular dynamics, Afiliacje autorów:
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2. | Fathalian M., Postek E., Sadowski T.♦, Crack Development In Al2O3: A DFT Study, KSME, Korean Society of Mechanical Engineers Annual Meeting, 2023-11-01/11-04, Incheon (KR), pp.1-1, 2023 Streszczenie: This study employs Density Functional Theory (DFT) simulations to explore the fracture toughness Słowa kluczowe: Crack, Al2O3, Fracture toughness, DFT Afiliacje autorów:
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