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 TVT, 2014, Volume 52, Issue 2, Pages 220–228 (Mi tvt180)

Thermophysical Properties of Materials

Molecular Dynamics Simulation of Graphite Melting

N. D. Orekhovab, V. V. Stegailovba

a Scientific Association for High Temperatures, Russian Academy of Sciences, Moscow
b Moscow Institute of Physics and Technology (State University), Dolgoprudny, Moscow region

Abstract: Questions on the behavior of the graphite melting curve have remainned open during the last fifty years. The process of graphite melting in the pressure range of $2$$14$ GPa is investigated by the method of molecular dynamics using the model of reactive interatomic potential; the dynamics of melting-front propagation upon crystal superheating is considered, and the melting curve is plotted. The self-diffusion coefficient in the liquid phase is determined for the aforementioned pressure range, and the question of the existence of the liquid–liquid phase transition in carbon is considered.

DOI: https://doi.org/10.7868/S0040364414020185

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English version:
High Temperature, 2014, 52:2, 198–204

Bibliographic databases:

UDC: 544.012

Citation: N. D. Orekhov, V. V. Stegailov, “Molecular Dynamics Simulation of Graphite Melting”, TVT, 52:2 (2014), 220–228; High Temperature, 52:2 (2014), 198–204

Citation in format AMSBIB
\Bibitem{OreSte14} \by N.~D.~Orekhov, V.~V.~Stegailov \paper Molecular Dynamics Simulation of Graphite Melting \jour TVT \yr 2014 \vol 52 \issue 2 \pages 220--228 \mathnet{http://mi.mathnet.ru/tvt180} \crossref{https://doi.org/10.7868/S0040364414020185} \elib{http://elibrary.ru/item.asp?id=21248921} \transl \jour High Temperature \yr 2014 \vol 52 \issue 2 \pages 198--204 \crossref{https://doi.org/10.1134/S0018151X14020187} \isi{http://gateway.isiknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&DestLinkType=FullRecord&DestApp=ALL_WOS&KeyUT=000335144100008} \elib{http://elibrary.ru/item.asp?id=24050881} \scopus{http://www.scopus.com/record/display.url?origin=inward&eid=2-s2.0-84901786415} 

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Citing articles on Google Scholar: Russian citations, English citations
Related articles on Google Scholar: Russian articles, English articles

This publication is cited in the following articles:
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5. Orekhov N.D., Stegailov V.V., “Molecular-Dynamics Based Insights Into the Problem of Graphite Melting”, Xxx International Conference on Interaction of Intense Energy Fluxes With Matter (Elbrus 2015), Journal of Physics Conference Series, 653, IOP Publishing Ltd, 2015, 012090
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