Takada Akira, Conradt Reinhard, Richet Pascal
Innovative Technology Research Center, Asahi Glass Co. Ltd., Yokohama 221-8755, Japan.
Department of Earth Sciences, University College London, London WC1E 6BT, UK.
Entropy (Basel). 2018 Mar 23;20(4):218. doi: 10.3390/e20040218.
A new model of non-equilibrium thermodynamic states has been investigated on the basis of the fact that all thermodynamic variables can be derived from partition functions. We have thus attempted to define partition functions for non-equilibrium conditions by introducing the concept of pseudo-temperature distributions. These pseudo-temperatures are configurational in origin and distinct from kinetic (phonon) temperatures because they refer to the particular fragments of the system with specific energies. This definition allows thermodynamic states to be described either for equilibrium or non-equilibrium conditions. In addition; a new formulation of an extended canonical partition function; internal energy and entropy are derived from this new temperature definition. With this new model; computational experiments are performed on simple non-interacting systems to investigate cooling and two distinct relaxational effects in terms of the time profiles of the partition function; internal energy and configurational entropy.
基于所有热力学变量都可从配分函数导出这一事实，研究了一种非平衡热力学状态的新模型。因此，我们试图通过引入伪温度分布的概念来定义非平衡条件下的配分函数。这些伪温度源于构型，与动力学（声子）温度不同，因为它们指的是具有特定能量的系统特定片段。这一定义使得热力学状态既可以在平衡条件下描述，也可以在非平衡条件下描述。此外，从这个新的温度定义推导出了扩展正则配分函数、内能和熵的新公式。利用这个新模型，对简单的非相互作用系统进行了计算实验，以根据配分函数、内能和构型熵的时间分布来研究冷却和两种不同的弛豫效应。
