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

页码：331 / 341

页数：11

共 50 条

[1] THE GRUNEISEN-PARAMETER AT HIGH-PRESSURE - A MOLECULAR DYNAMICAL STUDY
BARTON, MA
STACEY, FD
PHYSICS OF THE EARTH AND PLANETARY INTERIORS, 1985, 39 (03) : 167 - 177
[2] Melting and Gruneisen parameters of NaCl at high pressure
Chen, QF
Cai, LC
Duan, SQ
Chen, DQ
CHINESE PHYSICS, 2004, 13 (07): : 1091 - 1095
[3] The Gruneisen parameter of NaCl at high pressures and temperatures: a molecular dynamics study
Cai, LC
Chen, QF
Cui, SX
Jing, FQ
CHINESE PHYSICS LETTERS, 2005, 22 (02) : 514 - 516
[4] GRUNEISEN PARAMETER OF NACL AT HIGH COMPRESSIONS
BOEHLER, R
GETTING, IC
KENNEDY, GC
JOURNAL OF PHYSICS AND CHEMISTRY OF SOLIDS, 1977, 38 (03) : 233 - 236
[5] Pressure dependence of the Gruneisen parameter and melting temperature of some metals
Sunil, K.
Ashwini, D.
Sharma, Vijay S.
INTERNATIONAL JOURNAL OF MODERN PHYSICS B, 2021, 35 (25):
[6] Gruneisen parameter and equations of states for copper - High pressure study
Joshi, R. H.
Bhatt, N. K.
Thakore, B. Y.
Vyas, P. R.
Jani, A. R.
COMPUTATIONAL CONDENSED MATTER, 2018, 15 : 79 - 84
[7] LINDEMANN AND GRUNEISEN LAWS AND A MELTING LAW AT HIGH PRESSURE
GILVARRY, JJ
PHYSICAL REVIEW LETTERS, 1966, 16 (24) : 1089 - &
[8] Melting Behavior of CaO at High Temperature and Pressure: A Molecular Dynamics Study
Menescardi, Francesca
Ceresoli, Davide
Belmonte, Donato
JOURNAL OF PHYSICAL CHEMISTRY C, 2024, 128 (43): : 18498 - 18508
[9] EQUATION OF STATE AND PRESSURE-DEPENDENCE OF THE GRUNEISEN-PARAMETER FOR NACL CRYSTAL
KUMAR, M
PACHAURI, AK
CHATURVEDI, SD
SHARMA, AK
PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 1988, 146 (01): : 125 - 130
[10] Volume and pressure dependence of the Gruneisen parameter γ at high temperature
Cui, GL
Chen, LR
PHYSICA STATUS SOLIDI B-BASIC RESEARCH, 2003, 237 (02): : 454 - 458

← 1 2 3 4 5 →