Molecular dynamics study for the melting curve of MgO at high pressure
Liu Zi-Jiang (刘子江)ab, Cheng Xin-Lu (程新路)a, Zhang Hong (张红)a, Cai Ling-Cang (蔡灵仓)c
a Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China; b Department of Physics, Lanzhou Teachers College, Lanzhou 730070, China; c Laboratory for Shock Wave and Detonation Physics Research, Southwest Institute of Fluid Physics, China Academy of Engineering Physics, Mianyang 621900, China
Abstract Shell-model molecular dynamics method is used to study the melting temperatures of MgO at elevated temperatures and high pressures using interaction potentials. Equations of state for MgO simulated by molecular dynamics are in good agreement with available experimental data. The pressure dependence of the melting curve of MgO has been calculated. The surface melting and superheating are considered in the correction of experimental data and the calculated values, respectively. The results of corrections are compared with those of previous work. The corrected melting temperature of MgO is consistent with corrected experimental measurements. The melting temperature of MgO up to 140GPa is calculated.
Received: 29 May 2003
Revised: 30 June 2003
Accepted manuscript online:
Fund: Project supported by the Science and Technology Foundation of the China Academy of Engineering Physics (Grant No 2000103).
Cite this article:
Liu Zi-Jiang (刘子江), Cheng Xin-Lu (程新路), Zhang Hong (张红), Cai Ling-Cang (蔡灵仓) Molecular dynamics study for the melting curve of MgO at high pressure 2004 Chinese Physics 13 384
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