Molecular dynamics simulation of graphite melting
N D Orekhov
1, 2
,
V V Stegailov
1, 2
Publication type: Journal Article
Publication date: 2014-03-01
scimago Q4
wos Q4
SJR: 0.160
CiteScore: 1.4
Impact factor: 0.7
ISSN: 0018151X, 16083156
Condensed Matter Physics
General Engineering
Abstract
Questions on the behavior of the graphite melting curve have remained 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.
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Total citations:
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MLA
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GOST
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Orekhov N. D. et al. Molecular dynamics simulation of graphite melting // High Temperature. 2014. Vol. 52. No. 2. pp. 198-204.
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Orekhov N. D., Stegailov V. V. Molecular dynamics simulation of graphite melting // High Temperature. 2014. Vol. 52. No. 2. pp. 198-204.
Cite this
RIS
Copy
TY - JOUR
DO - 10.1134/S0018151X14020187
UR - http://link.springer.com/10.1134/S0018151X14020187
TI - Molecular dynamics simulation of graphite melting
T2 - High Temperature
AU - Orekhov, N D
AU - Stegailov, V V
PY - 2014
DA - 2014/03/01
PB - Pleiades Publishing
SP - 198-204
IS - 2
VL - 52
SN - 0018-151X
SN - 1608-3156
ER -
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BibTex (up to 50 authors)
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@article{2014_Orekhov,
author = {N D Orekhov and V V Stegailov},
title = {Molecular dynamics simulation of graphite melting},
journal = {High Temperature},
year = {2014},
volume = {52},
publisher = {Pleiades Publishing},
month = {mar},
url = {http://link.springer.com/10.1134/S0018151X14020187},
number = {2},
pages = {198--204},
doi = {10.1134/S0018151X14020187}
}
Cite this
MLA
Copy
Orekhov, N. D., et al. “Molecular dynamics simulation of graphite melting.” High Temperature, vol. 52, no. 2, Mar. 2014, pp. 198-204. http://link.springer.com/10.1134/S0018151X14020187.
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