具有点缺陷的活性晶体中的非均匀熵产生

Lorenzo Caprini, Hartmut Lowen, Umberto Marini Bettolo Marconi
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引用次数: 0

摘要

由活性粒子形成的固体中缺陷的存在打破了它们的离散平移对称性。因此,它们的许多性质变得依赖于空间,与那些具有完美有序结构特征的性质不同。基于近年来关于熵产的非均匀分布及其与活性体系构型性质的关系的数值研究,我们从理论上和数值上研究了当活性固体含有同位素质量缺陷时熵产率的空间分布。采用微扰分析,以完全有序谐波固体为参照系,对这种不完全活性晶体进行了理论研究。微扰理论预测了从杂质位置向远处延伸的熵产生的非均匀分布。熵产率呈指数衰减到其体积值,具有典型的愈合长度,该长度与表征无杂质的完美活性固体的空间速度相关性的相关长度一致。通过对具有Weeks-Chandler-Andersen粒子间排斥势的二维活跃布朗粒子晶体的数值模拟验证了该理论。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Inhomogeneous entropy production in active crystals with point imperfections
Abstract The presence of defects in solids formed by active particles breaks their discrete translational symmetry. As a consequence, many of their properties become space-dependent and different from those characterizing perfectly ordered structures. Motivated by recent numerical investigations concerning the nonuniform distribution of entropy production and its relation to the configurational properties of active systems, we study theoretically and numerically the spatial profile of the entropy production rate when an active solid contains an isotopic mass defect. The theoretical study of such an imperfect active crystal is conducted by employing a perturbative analysis that considers the perfectly ordered harmonic solid as a reference system. The perturbation theory predicts a nonuniform profile of the entropy production extending over large distances from the position of the impurity. The entropy production rate decays exponentially to its bulk value with a typical healing length that coincides with the correlation length of the spatial velocity correlations characterizing
the perfect active solids in the absence of impurities. The theory is validated against numerical simulations of an active Brownian particle crystal in two dimensions with Weeks-Chandler-Andersen repulsive interparticle potential.
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