Publication: Comparison of molecular dynamics simulation methods of methane shockwave compression
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2020
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© Published under licence by IOP Publishing Ltd.Shockwave compression of methane was simulated using the molecular dynamics method with Hugoniostat and MSST approach. The calculation was carried out employing ReaxFFlg potential. We show comparison of simulated Hugoniots for pressure range 0,1-44 GPa and times required for simulation run of two different methods. We also compare two ReaxFF potentials: ReaxFF(2008) and ReaxFF-lg.
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Kudinov, A. V. Comparison of molecular dynamics simulation methods of methane shockwave compression / Kudinov, A.V., Gubin, S.A., Bogdanova, Yu.A. // Journal of Physics: Conference Series. - 2020. - 1686. - № 1. - 10.1088/1742-6596/1686/1/012081