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
相关论文
共 50 条
  • [1] Molecular dynamics simulation of MgO melting at high pressure
    Shou-yi Li
    Zheng-lai Liu
    Ya-gong Nan
    Zhi-rong Zhang
    CHINESE JOURNAL OF CHEMICAL PHYSICS, 2006, 19 (04) : 315 - 318
  • [2] Molecular dynamics study of the melting curve of NiTi alloy under pressure
    Zeng, Zhao-Yi
    Hu, Cui-E
    Cai, Ling-Cang
    Chen, Xiang-Rong
    Jing, Fu-Qian
    JOURNAL OF APPLIED PHYSICS, 2011, 109 (04)
  • [3] Molecular dynamics simulations of the melting curve of tantalum under pressure
    Liu, Zhong-Li
    Cai, Ling-Cang
    Chen, Xiang-Rong
    Jing, Fu-Qian
    PHYSICAL REVIEW B, 2008, 77 (02)
  • [4] High pressure melting of MgO
    Liu, ZJ
    Sun, XW
    Chen, QF
    Cai, LC
    Tan, XM
    Yang, XD
    PHYSICS LETTERS A, 2006, 353 (2-3) : 221 - 225
  • [5] 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
  • [6] MELTING CURVE AT HIGH PRESSURE
    ROSS, M
    ALDER, BJ
    PHYSICAL REVIEW LETTERS, 1966, 16 (24) : 1077 - &
  • [7] Molecular dynamics simulations of the melting curve of NiAl alloy under pressure
    Zhang, Wenjin
    Peng, Yufeng
    Liu, Zhongli
    AIP ADVANCES, 2014, 4 (05):
  • [8] Melting of MgO studied by molecular dynamics simulation
    Ferneyhough, R.
    Fincham, D.
    Price, G.D.
    Gillan, M.J.
    Modelling and Simulation in Materials Science and Engineering, 1994, 2 (06): : 1101 - 1110
  • [9] Calculation of melting curve of aluminum under pressure through molecular dynamics simulations
    Li, Jinxi
    Han, Zhiqiang
    ADVANCED DESIGN TECHNOLOGY, 2012, 421 : 151 - 155
  • [10] Melting curve of sodium at high pressure
    Sayyadul Arafin
    Ram N. Singh
    Applied Physics A, 2014, 117 : 1055 - 1058