The Griineisen Parameter of NaC1 at High Pressures and Temperatures: a Molecular Dynamics Study |
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引用本文: | 蔡灵仓,陈其峰,崔守鑫,经福谦.The Griineisen Parameter of NaC1 at High Pressures and Temperatures: a Molecular Dynamics Study[J].中国物理快报,2005,22(2):514-516. |
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作者姓名: | 蔡灵仓 陈其峰 崔守鑫 经福谦 |
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作者单位: | KeyLaboratoryforShockWaveandDetonationPhysicsResearch,InstituteofFluidPhysics,POBox919-102,Mianyang621900 |
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摘 要: | The isotherms and Grǖneisen 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 Grǖneisen parameter on compression γ=γ0(V/V0)^q, with q≈1.078, holds in the temperature range from 298 to 1073K and pressure range from 0 to 60 GPa, and that the Grfineisen parameter for a given density of 2.16 g/cm^3 varies with temperature in a wind range from 300 to I O000 K, expressed by γ=1.052 0.582exp(-T/ 4878.56).
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关 键 词: | 氯化钠 分子力学法 高温条件 高压条件 电子偶势能 |
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