非对称双阱势的非马尔可夫平衡和非平衡势垒穿越动力学

IF 1.8 4区 物理与天体物理 Q4 CHEMISTRY, PHYSICAL
Laura Lavacchi, Benjamin A. Dalton, Roland R. Netz
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引用次数: 0

摘要

自然界中的隔障过程通常是非马尔可夫过程,通常发生在不对称的双井自由能景观上。然而,大多数理论和数值研究的障碍跨越率假设对称的自由能分布。本文利用一维广义朗之万方程(GLE)研究了非对称双阱势下的非马尔可夫反应动力学。通过大量的模拟,我们推导出了一个通用公式,该公式可以准确地预测具有任意记忆时间和反应坐标质量的非对称双井势井从井到势垒顶部的平均首次通过时间。我们将我们的形式主义扩展到非平衡非马尔可夫系统,证实了它在生物、化学和物理中的平衡和非平衡系统的广泛适用性。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Non-Markovian equilibrium and non-equilibrium barrier-crossing kinetics in asymmetric double-well potentials

Barrier-crossing processes in nature are often non-Markovian and typically occur over an asymmetric double-well free-energy landscape. However, most theories and numerical studies on barrier-crossing rates assume symmetric free-energy profiles. Here, we use a one-dimensional generalized Langevin equation (GLE) to investigate non-Markovian reaction kinetics in asymmetric double-well potentials. We derive a general formula, confirmed by extensive simulations, that accurately predicts mean first-passage times from well to barrier top in an asymmetric double-well potential with arbitrary memory time and reaction coordinate mass. We extend our formalism to non-equilibrium non-Markovian systems, confirming its broad applicability to equilibrium and non-equilibrium systems in biology, chemistry, and physics.

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来源期刊
The European Physical Journal E
The European Physical Journal E CHEMISTRY, PHYSICAL-MATERIALS SCIENCE, MULTIDISCIPLINARY
CiteScore
2.60
自引率
5.60%
发文量
92
审稿时长
3 months
期刊介绍: EPJ E publishes papers describing advances in the understanding of physical aspects of Soft, Liquid and Living Systems. Soft matter is a generic term for a large group of condensed, often heterogeneous systems -- often also called complex fluids -- that display a large response to weak external perturbations and that possess properties governed by slow internal dynamics. Flowing matter refers to all systems that can actually flow, from simple to multiphase liquids, from foams to granular matter. Living matter concerns the new physics that emerges from novel insights into the properties and behaviours of living systems. Furthermore, it aims at developing new concepts and quantitative approaches for the study of biological phenomena. Approaches from soft matter physics and statistical physics play a key role in this research. The journal includes reports of experimental, computational and theoretical studies and appeals to the broad interdisciplinary communities including physics, chemistry, biology, mathematics and materials science.
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