The search for a universal equation of state correct up to very high pressures

被引:147
作者
Hama, J
Suito, K
机构
[1] Department of Material Physics, Faculty of Engineering Science, Osaka University, Toyonaka
关键词
D O I
10.1088/0953-8984/8/1/008
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
The universal equations of state of solids recently proposed by several authors have been examined by comparing them with the theoretical results calculated by the augmented-plane-wave method and the quantum-statistical model proposed by Kalitkin and Kuz'mina from low to ultra-high pressures. It has been shown that the Vinet equation is in good agreement with the theoretical results both for the P-V relation and for the pressure dependence of the isothermal bulk modulus up to 10 TPa (V/V-0 = 0.20) for monatomic solids and up to 1 TPa (V/V-0 = 0.35) for diatomic solids. The Kumari-Dass and the Dodson equations become less successful below V/V-0 = 0.7 if the zero-pressure values for B-0, B'(0) and B ''(0) are used. For monatomic solids the Holzapfel equation has a very similar structure to that of the Vinet equation at low and medium compressions and it is in good agreement with the theoretical values up to ultra-high pressures. For the application to polyatomic solids a remedy for the shortcomings of the Vinet equation at very high pressures is given on the basis of the quantum-statistical model. The resulting equation is in good agreement with the theoretical values from low to ultra-high pressures both for monatomic and for diatomic solids.
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页码:67 / 81
页数:15
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