| Original Articles |
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The Grüneisen Parameter of NaCl at High Pressures and Temperatures: a Molecular Dynamics Study |
| CAI Ling-Cang;CHEN Qi-Feng;CUI Shou-Xin;JING Fu-Qian |
| Key Laboratory for Shock Wave and Detonation Physics Research, Institute of Fluid Physics,PO Box 919-102, Mianyang 621900 |
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| Cite this article: |
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CAI Ling-Cang, CHEN Qi-Feng, CUI Shou-Xin et al 2005 Chin. Phys. Lett. 22 514-516 |
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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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| Keywords:
91.60.-x
91.60.Fe
91.60.Gf
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Published: 01 February 2005
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| PACS: |
91.60.-x
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(Physical properties of rocks and minerals)
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91.60.Fe
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(Equations of state)
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91.60.Gf
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(High-pressure behavior)
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