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熵与动力学之间的普遍关系。

Universal Relation between Entropy and Kinetics.

作者信息

Sorkin Benjamin, Diamant Haim, Ariel Gil

机构信息

School of Chemistry and Center for Physics and Chemistry of Living Systems, Tel Aviv University, 69978 Tel Aviv, Israel.

Department of Mathematics, Bar-Ilan University, 52000 Ramat Gan, Israel.

出版信息

Phys Rev Lett. 2023 Oct 6;131(14):147101. doi: 10.1103/PhysRevLett.131.147101.

Abstract

Relating thermodynamic and kinetic properties is a conceptual challenge with many practical benefits. Here, based on first principles, we derive a rigorous inequality relating the entropy and the dynamic propagator of particle configurations. It is universal and applicable to steady states arbitrarily far from thermodynamic equilibrium. Applying the general relation to diffusive dynamics yields a relation between the entropy and the (normal or anomalous) diffusion coefficient. The relation can be used to obtain useful bounds for the late-time diffusion coefficient from the calculated steady-state entropy or, conversely, to estimate the entropy based on measured diffusion coefficients. We demonstrate the validity and usefulness of the relation through several examples and discuss its broad range of applications, in particular, for systems far from equilibrium.

摘要

关联热力学性质和动力学性质是一项具有诸多实际益处的概念性挑战。在此,基于第一性原理,我们推导出一个严格的不等式,该不等式关联了粒子构型的熵与动态传播子。它具有普遍性,适用于任意远离热力学平衡的稳态。将该一般关系应用于扩散动力学,可得到熵与(正常或反常)扩散系数之间的关系。此关系可用于根据计算出的稳态熵获得晚期扩散系数的有用界限,或者相反,根据测量的扩散系数来估计熵。我们通过几个例子证明了该关系的有效性和实用性,并讨论了其广泛的应用范围,特别是对于远离平衡的系统。

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