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

This article is cited in 15 scientific papers (total in 15 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.

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
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

Citation in format AMSBIB
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\paper Molecular Dynamics Simulation of Graphite Melting
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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:
    1. N. D. Orekhov, V. V. Stegailov, “Kinetika plavleniya grafita”, DAN, 461:2 (2015), 155–169  elib
    2. G. S. Smirnov, V. V. Stegailov, “Anomalous diffusion of guest molecules in hydrogen gas hydrates”, High Temperature, 53:6 (2015), 829–836  mathnet  crossref  crossref  isi  elib
    3. Orekhov N.D. Stegailov V.V., “Graphite Melting: Atomistic Kinetics Bridges Theory and Experiment”, Carbon, 87 (2015), 358–364  crossref  isi  elib
    4. Orekhov N.D. Stegailov V.V., “Kinetics of Graphite Melting”, Dokl. Phys., 60:3 (2015), 109–113  crossref  isi  elib
    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  crossref  isi
    6. A. E. Galashev, O. R. Rakhmanova, “Computer simulation of a forced drift of lithium ions through graphene membranes”, High Temperature, 54:1 (2016), 11–19  mathnet  crossref  crossref  isi  elib
    7. S. V. Onufriev, A. I. Savvatimskii, “Pecularities of high-temperature properties of HAPG graphite within the melting region”, High Temperature, 54:4 (2016), 510–513  mathnet  crossref  crossref  isi  elib
    8. R. Kh. Amirov, V. I. Kiselev, V. Ya. Mendeleev, V. P. Polishchuk, I. S. Samoilov, S. N. Skovorod'ko, “Melt formation on the graphite electrode surface in a diffusive arc discharge”, High Temperature, 54:5 (2016), 644–654  mathnet  crossref  crossref  isi  elib
    9. A. E. Galashev, “Molecular-dynamic analysis of fast heating of a mercury film on graphene”, High Temperature, 54:5 (2016), 690–697  mathnet  crossref  crossref  isi  elib
    10. A. V. Yanilkin, “Investigation of $\alpha$-phase and liquid uranium by the method of quantum molecular dynamics”, High Temperature, 55:1 (2017), 40–46  mathnet  crossref  crossref  isi  elib
    11. S. V. Shevkunov, “Spin states of electrons in quantum dots upon heating. Simulation by the Feynman path integral method. Magnetic properties”, High Temperature, 55:1 (2017), 12–19  mathnet  crossref  crossref  isi  elib  elib
    12. A. I. Savvatimskiy, S. V. Onufriev, S. A. Konyukhov, “Thermophysical properties of graphite HOPG and HAPG in the solid state and under melting (from 2000 K up to 5000 K)”, International Conference Problems of Thermal Physics and Power Engineering (PTPPE-2017), Journal of Physics Conference Series, 891, IOP Publishing Ltd, 2017, UNSP 012319  crossref  isi  scopus
    13. V. P. Polishchuk, I. S. Samoilov, R. Kh. Amirov, V. I. Kiselev, “Liquid phase formation on graphite electrode surface in arc discharge”, High Temperature, 56:3 (2018), 327–333  mathnet  crossref  crossref  isi  elib  elib
    14. J. A. Baimova, L. Kh. Rysaeva, “Deformation behavior of three-dimensional carbon structures under hydrostatic compression”, J. Struct. Chem., 59:4 (2018), 884–890  crossref  isi  scopus
    15. A. E. Galashev, O. R. Rakhmanova, L. A. Elshina, “Molecular dynamics study of the formation of solid al-c nanocomposites”, Russ. J. Phys. Chem. B, 12:3 (2018), 403–411  crossref  isi  scopus
  • Teplofizika vysokikh temperatur Teplofizika vysokikh temperatur
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