MELTING BEHAVIOR AND THE GRUNEISEN PARAMETER OF NaCl AT HIGH PRESSURE: A MOLECULAR DYNAMICAL STUDY

被引：0
|
作者：
Cui, Shouxin [1 ]
Cai, Lingcang [2 ]
Hu, Haiquan [1 ]
Gong, Zizheng [3 ]
Zhao, Jijun [4 ]
机构：
[1] Liaocheng Univ, Sch Phys Sci & Informat Technol, Liaocheng 252059, Peoples R China
[2] Inst Fluid Phys, Lab Shock Wave & Detonat Phys Res, Mianyang 621900, Peoples R China
[3] SW Jiaotong Univ, Inst High Pressure & High Temp Phys, Chengdu 610031, Peoples R China
[4] Dalian Univ Technol, Coll Adv Sci & Technol, State Key Lab Mat Modificat Laser Elect & Ion Bea, Dalian 116024, Peoples R China
来源：
INTERNATIONAL JOURNAL OF MODERN PHYSICS B | 2010年 / 24卷 / 03期
基金：
中国国家自然科学基金;
关键词：
NaCl; melting; Gruneisen parameter; high pressure; molecular dynamics; SODIUM-CHLORIDE; ALKALI-HALIDES; TEMPERATURES; COMPRESSION; SIMULATION; EQUATION; SOLIDS; POINT; STATE; PHASE;
D O I：
10.1142/S0217979210053604
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
The improved Tosi-Fumi pair potential has been employed to simulate the melting behavior and Gruneisen parameters of sodium chloride (NaCl) using molecular dynamics (MD) method at constant volume. The melting curve of NaCl is compared with the experimental data and other calculations in a pressure range from 0 to 144 GPa. The simulated results validate the amount of 20% superheating of the NaCl solid and yield an approximate power law dependence of the Gruneisen parameter (gamma) on compression gamma = gamma(0)(V/V-0)(q), with q approximate to 1.078, in the temperature range from 298 to 1073 K and pressure range from 0 to 60 GPa.
引用
收藏
页码：331 / 341
页数：11
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