Melting and Gruneisen parameters of NaCl at high pressure

被引:0
|
作者
Chen, QF [1 ]
Cai, LC
Duan, SQ
Chen, DQ
机构
[1] Inst Fluid Phys, Lab Shock Wave & Detonat Phys Res, Mianyang 621900, Peoples R China
[2] Inst Appl Phys & Computat Math, Lab Computat Phys, Beijing 100088, Peoples R China
来源
CHINESE PHYSICS | 2004年 / 13卷 / 07期
关键词
NaCl; melting; Gruneisen parameter; constant-volume heat capacity; molecular dynamics method;
D O I
暂无
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
The Buckingham potential has been employed to simulate the melting and thermodynamic parameters of sodium chloride (NaCl) using the molecular dynamics (MD) method. The constant-volume heat capacity and Gruneisen parameters have been obtained in a wide range of temperatures. The calculated thermodynamic parameters are found to be in good agreement with the available experimental data. The NaCl melting simulations appear to validate the interpretation of superheating of the solid in the one-phase MD simulations. The melting curve of NaCl is compared with the experiments and other calculations at pressure 0-30GPa range.
引用
收藏
页码:1091 / 1095
页数:5
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