A NEW METHOD IN THE CALCULATION OF EoS AND THE STUDY OF PHASE DIAGRAM OF MATERIALS
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摘要: 本文运用位力(virial)定理严格地给出了材料的冷压状态方程.本文的理论没有引入对系统势能的任何假定,只需计算系统的总动能,因而在状态方程的研究上得到了新的进展.本文采用了经典TFD统计模型,给出了计算材料状态方程的新方法.此方法可以运用于整个凝聚体系统,从零压开始计算材料各个压缩度下的压力,考虑到经典TFD模型的统计与真实量子力学统计之间的差异.此方法对每种元素的总动能计算作了修正.用此状态方程的新方法计算,可以得到在整个压缩度范围(包括零压附近)压力与实测值一致的冷压状态方程, 对Li,Na,Al,Fe,Ag和U等元素以及Fe-Ni,Al-Cu等二元合金进行了数值计算,结果与实测值符合得较好. 文中还探讨了材料相图的理论研究.冷压状态方程计算的新方法和相图的理论研究将为材料的设计提供依据.Abstract: The present paper derives rigorously an equation of state by use of virial theorem at 0°K. No assumption is made concerning the potential energy of system and only the total kinetic energy of system is to be calculated, which signifies a new development in EoS. The new method in the calculation of EoS could be applied to all materials. Considering the difference of the electrons' distribution between TFD model and quantum mechanical statistics, we have introduced quantum corrections to the calculation of th...
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Key words:
- equation of state /
- TFD models virial theorem /
- phase diagram /
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