Molecular dynamics

Quantum-inspired evolutionary optimization of SLMoS2 two-phase structures

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Quantum-inspired evolutionary optimization of SLMoS2 two-phase structures Wacław Kuś1, Adam Mrozek2 1Silesian University of Technology, Gliwice, Poland. 2AGH University of Science and Technology, Krakow, Poland. DOI: https://doi.org/10.7494/cmms.2022.2.0777 Abstract: The paper focuses on applying a Quantum Inspired Evolutionary Algorithm to achieve the optimization of 2D material containing two phases, 2H and 1T, of Molybdenum Disulphide (MoS2). … Read more

Molecular models of polycrystalline and porous materials

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Molecular models of polycrystalline and porous materials Adam Mrozek Institute of Computer Science, Cracow University of Technology,Warszawska 24, 31-155 Cracow, Poland. DOI: https://doi.org/10.7494/cmms.2014.1.0473 Abstract: Creation of the metallic polycrystalline and porous structures based on the molecular dynamics (MD) simulations are presented in this paper. The simple Morse potential, as well as, the more sophisticated Embedded … Read more

Stress analysis of silicon-titanium coating created by ion beam sputter deposition

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Stress analysis of silicon-titanium coating created by ion beam sputter deposition Jacek Rońda, Wojciech Rajchel, Paweł Wojnarowski Department of Applied Computer Science and Modelling,Faculty of Metals Engineering and Industrial Computer Science,AGH University of Science and Technology, al. Mickiewicza 30, 30-059 Kraków, Poland. DOI: https://doi.org/10.7494/cmms.2009.1.0215 Abstract: The paper is devoted to the analysis of internal stresses … Read more