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arXiv 1809.00526cond-mat.stat-mech
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由特殊微观态确定真实热力学变量

Formulation of Genuine Thermodynamic Variables from Special Microscopic States

Koretaka Yuge, Shouno Ohta

摘要:

对于经典的离散系统下恒定的组成,它已被认为是真正的热力学变量,如自由能一般不能确定从一个或几个选定的微观状态的信息。尽管这一事实,我们在这里表明,亥姆霍兹自由能为任何给定的组合物的无序状态可以很好地表征信息的一些(R+3,其中R表示的组件数量)特别选择的微观状态,其结构可以是已知的先验,而不需要任何热力学信息。目前的研究是我们最近发展的理论方法的非平凡的扩展特殊微观态的正则系综半巨正则系综,这另外使其他热力学变量,如内能和熵的温度依赖性的特征。

英文摘要:

For classical discrete systems under constant composition, it has been considered that genuine thermodynamic variables such as free energy cannot be generally determined from information about a single or a few selected microscopic states. Despite this fact, we here show that Helmholtz free energy for any given composition for disordered states can be well characterized by information about a few (R+3, where R denotes number of components) specially selected microscopic states, whose structure can be known a priori without requiring any thermodynamic information. The present study is a non-trivial extension of our recently-developed theoretical approach for special microscopic states in canonical ensemble to semi-grand canonical ensemble, which additionally enables to characterize temperature dependence of other thermodynamic variables such as internal energy and entropy.

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