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Comparison of molecular dynamics simulation methods of methane shockwave compression

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dc.contributor.authorKudinov, A. V.
dc.contributor.authorGubin, S. A.
dc.contributor.authorBogdanova, Yu. A.
dc.contributor.authorГубин, Сергей Александрович
dc.contributor.authorБогданова, Юлия Андреевна
dc.date.accessioned2024-11-27T12:24:50Z
dc.date.available2024-11-27T12:24:50Z
dc.date.issued2020
dc.description.abstract© 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.
dc.identifier.citationKudinov, 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
dc.identifier.doi10.1088/1742-6596/1686/1/012081
dc.identifier.urihttps://www.doi.org/10.1088/1742-6596/1686/1/012081
dc.identifier.urihttps://www.scopus.com/record/display.uri?eid=2-s2.0-85097994558&origin=resultslist
dc.identifier.urihttps://openrepository.mephi.ru/handle/123456789/22771
dc.relation.ispartofJournal of Physics: Conference Series
dc.titleComparison of molecular dynamics simulation methods of methane shockwave compression
dc.typeConference Paper
dspace.entity.typePublication
oaire.citation.issue1
oaire.citation.volume1686
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