Molecular dynamics study for the melting curve of MgO at high pressure

被引:0
|
作者
Liu, ZJ
Cheng, XL [1 ]
Zhang, H
Cai, LC
机构
[1] Sichuan Univ, Inst Atom & Mol Phys, Chengdu 610065, Peoples R China
[2] Lanzhou Teachers Coll, Dept Phys, Lanzhou 730070, Peoples R China
[3] China Acad Engn Phys, Lab Shock Wave & Detonat Phys Res, SW Inst Fluid Phys, Mianyang 621900, Peoples R China
来源
CHINESE PHYSICS | 2004年 / 13卷 / 03期
关键词
high pressure; bulk transition; melting temperature; molecular dynamics;
D O I
暂无
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
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.
引用
收藏
页码:384 / 387
页数:4
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