Application of simple model theories to thermodynamic properties of liquid transition metals
Application of simple model theories to thermodynamic properties of liquid transition metals
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简单模型理论在液态过渡金属热力学性质中的应用
DOI：
10.1088/0305-4608/14/2/001
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发表时间：
1984
期刊：
影响因子：
--
通讯作者：
M. Shimoji
中科院分区：
文献类型：
--
作者：
T. Itami;M. Shimoji
简单的单组分等离子体（OCP）模型已被应用于液态三维过渡金属的热力学性质。为了比较，也给出了硬球模型的计算结果。用矩形态密度模型考虑了电子对熵和热容的贡献。尽管模型简单，但熵S、定容比热CV和压缩性chi T的计算值与实验值符合得很好。这表明OCP模型，如HS模型，非常适合作为液态过渡金属的参考液体。
The simple one-component plasma (OCP) model has been applied to thermodynamic properties of liquid 3d transition metals. For comparison, the results calculated by the hard-sphere (HS) model are also given. The electronic contribution to the entropy and heat capacity has been considered by a rectangular model of the density of states. In spite of the simplicity of the models the calculated values of the entropy, S, the specific heat at constant volume, CV, and the compressibility chi T, are in good agreement with experiment. This indicates that the OCP model, like the HS model, is well suited as a reference liquid for liquid transition metals.