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非平衡热力学与 Nose-Hoover 动力学。

Nonequilibrium thermodynamics and Nose-Hoover dynamics.

机构信息

Center for Nonlinear Phenomena and Complex Systems, Université Libre de Bruxelles Campus Plaine, CP231 B-1050 Brussels, Belgium.

出版信息

J Phys Chem B. 2011 May 12;115(18):5144-7. doi: 10.1021/jp104780z. Epub 2010 Nov 5.

Abstract

We show that systems driven by an external force and described by Nose-Hoover dynamics allow for a consistent nonequilibrium thermodynamics description when the thermostatted variable is initially assumed in a state of canonical equilibrium. By treating the "real" variables as the system and the thermostatted variable as the reservoir, we establish the first and second law of thermodynamics. As for Hamiltonian systems, the entropy production can be expressed as a relative entropy measuring the system-reservoir correlations established during the dynamics.

摘要

我们表明,在外力驱动下并通过 Nose-Hoover 动力学描述的系统,当恒温变量最初处于正则平衡状态时,可以进行一致的非平衡热力学描述。通过将“真实”变量视为系统,将恒温变量视为储层,我们建立了热力学第一定律和第二定律。对于哈密顿系统,熵产生可以表示为相对熵,它衡量在动力学过程中建立的系统-储层相关性。

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