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中国物理学会期刊

Grüneisen系数与铝的高温高压状态方程

CSTR: 32037.14.aps.58.1879

Grüneisen parameter and high temperature and high pressure equation of state for aluminum

CSTR: 32037.14.aps.58.1879
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  • 基于Gray金属三相状态方程模型,分别采用ργ=常数,Gray,GRIZZLY的Grüneisen系数模型和从头算给出的Grüneisen系数,系统计算了铝的熔化曲线、等熵压缩线、等温压缩线和等熵卸载线,计算结果与实验数据比较表明;在冲击压力约为500GPa的宽广压力范围,GRIZZLY Grüneisen系数模型是最适合描述铝的热力学特性的形式,ργ=常数模型次之,在高压区,Gray和从头算的Grüneisen系数的计算结果与实验值差距较大.

     

    Based on the Gray equation of state,the Grüneisen models of ργ=constant,Gray,GRIZZLY and the Grüneisen parameter calculated from ab initio were used to calculate the melt line, isentropic compression, isotherm compression and isentropic release lines of aluminum. Comparing the calculated lines with the experimental data,the GRIZZLY Grüneisen model was found to be the best model for the equation of state of aluminum in the pressure range of about 500 GPa. The ργ=constant model is not as good as the GRIZZLY model. The Gray model and the Grüneisen parameter calculated ab initio fits the experimental data at high pressure badly.

     

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