Molecular dynamics simulation for thermophysical parameters of sodium chloride solids at high temperature and high pressure | Zendy

Shouxin Cui | Zendy; LingCang Cai | Zendy; Hu Hai-Quan | Zendy; Yongxin Guo | Zendy; Shikai Xiang | Zendy; Fuqian Jing | Zendy

Open Access

Molecular dynamics simulation for thermophysical parameters of sodium chloride solids at high temperature and high pressure

Author(s) -

Shouxin Cui,

LingCang Cai,

Hu Hai-Quan,

Yongxin Guo,

Shikai Xiang,

Fuqian Jing

Publication year - 2005

Publication title -

acta physica sinica

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.199

H-Index - 47

ISSN - 1000-3290

DOI - 10.7498/aps.54.2826

Subject(s) - molecular dynamics , grüneisen parameter , sodium , thermodynamics , materials science , isothermal process , atmospheric temperature range , exponent , chloride , range (aeronautics) , chemistry , physics , computational chemistry , thermal , composite material , linguistics , philosophy , metallurgy

By means of molecular dynamics simulation and the effective optimized two_body Tosi-Fumi potential, the isothermal compression curve and thermophysical parameters of sodium chloride solids in the temperature range 298—1073?K are calculat ed.The result demonstrates that the Gruneisen parameter of sodium chloride γ= γ0(V/V0)q is approximately correct in the te mperature range 298—1073? K and the pressure range 0—80?GPa,and the exponent q in the formula is abo ut 1078.

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