The Grüneisen Parameter of NaCl at High Pressures and Temperatures: a Molecular Dynamics Study
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Abstract
The isotherms and Grüneisen parameters are calculated by using the molecular dynamics (MD) method with an improved Tosi--Fumi pair potential. The results show that the approximate power law dependence of the Grüneisen parameter on compression γ = γ 0 (V/V0)q, with q approximate 1.078, holds in the temperature range from 298 to 1073K and pressure range from 0 to 60GPa, and that the Grüneisen parameter for a given density of 2.16g/cm3 varies with temperature in a wind range from 300 to 10000K, expressed by γ = 1.052 + 0.582\exp( - T/4878.56).
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CAI Ling-Cang, CHEN Qi-Feng, CUI Shou-Xin, JING Fu-Qian. The Grüneisen Parameter of NaCl at High Pressures and Temperatures: a Molecular Dynamics Study[J]. Chin. Phys. Lett., 2005, 22(2): 514-516.
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CAI Ling-Cang, CHEN Qi-Feng, CUI Shou-Xin, JING Fu-Qian. The Grüneisen Parameter of NaCl at High Pressures and Temperatures: a Molecular Dynamics Study[J]. Chin. Phys. Lett., 2005, 22(2): 514-516.
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CAI Ling-Cang, CHEN Qi-Feng, CUI Shou-Xin, JING Fu-Qian. The Grüneisen Parameter of NaCl at High Pressures and Temperatures: a Molecular Dynamics Study[J]. Chin. Phys. Lett., 2005, 22(2): 514-516.
|
CAI Ling-Cang, CHEN Qi-Feng, CUI Shou-Xin, JING Fu-Qian. The Grüneisen Parameter of NaCl at High Pressures and Temperatures: a Molecular Dynamics Study[J]. Chin. Phys. Lett., 2005, 22(2): 514-516.
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