热力学温度的微观表达式。

Microscopic expressions for the thermodynamic temperature.

作者信息

Jepps OG, Ayton G, Evans DJ

机构信息

Research School of Chemistry, The Australian National University, Canberra, ACT 0200, Australia.

出版信息

Phys Rev E Stat Phys Plasmas Fluids Relat Interdiscip Topics. 2000 Oct;62(4 Pt A):4757-63. doi: 10.1103/physreve.62.4757.

DOI:10.1103/physreve.62.4757

PMID:11089018

Abstract

We show that arbitrary phase space vector fields can be used to generate phase functions whose ensemble averages give the thermodynamic temperature. We describe conditions for the validity of these functions in periodic boundary systems and the molecular dynamics (MD) ensemble, and test them with a short-ranged potential MD simulation.

摘要

我们表明，任意相空间矢量场可用于生成相函数，其系综平均值给出热力学温度。我们描述了这些函数在周期性边界系统和分子动力学（MD）系综中有效性的条件，并用短程势MD模拟对其进行了测试。