a Laboratory for Shock Wave and Detonation Physics Research, Institute of Fluid Physics, Mianyang 621900, China; b Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics, Beijing 100088, China
Abstract 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 Grüneisen 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.
Received: 28 September 2003
Revised: 04 February 2004
Accepted manuscript online:
Fund: Project supported by the Science and Technology Foundation of the China Academy of Engineering Physics (Grant No 200103), and the Foundation of Laboratory for Shock Wave and Detonation Physics Research (Grant No 51478030203ZW0902).
Cite this article:
Chen Qi-Feng (陈其峰), Cai Ling-Cang (蔡灵仓), Duan Su-Qing (段素青), Chen Dong-Quan (陈栋泉) Melting and Grüneisen parameters of NaCl at high pressure 2004 Chinese Physics 13 1091
Characteristics of urea under high pressure and high temperature Shuai Fang(房帅), Hong-An Ma(马红安), Long-Suo Guo(郭龙锁), Liang-Chao Chen(陈良超), Yao Wang(王遥), Lu-Yao Ding(丁路遥), Zheng-Hao Cai(蔡正浩), Jian Wang(王健), Xiao-Peng Jia(贾晓鹏). Chin. Phys. B, 2019, 28(9): 098101.
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