期刊
CARBON
卷 49, 期 2, 页码 364-368出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.carbon.2010.09.029
关键词
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资金
- EuroSim Marie-Curie EST program
The thermoelastic behavior of graphite is experimentally accessible in a limited range of pressures and temperatures. Here we perform Monte Carlo simulations based on the accurate long range carbon bond-order potential (LCBOPII) in order to study graphite in a wider range of thermodynamic conditions. We present the volume-pressure equation of state and related thermoelastic properties up to 4000 K and 20 GPa. (C) 2010 Elsevier Ltd. All rights reserved.
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