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This article is cited in 26 scientific papers (total in 26 papers)
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.
Received: 26.05.2013
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
Linking options:
https://www.mathnet.ru/eng/tvt180 https://www.mathnet.ru/eng/tvt/v52/i2/p220
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Abstract page: | 376 | Full-text PDF : | 135 | References: | 71 |
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