arXivDaily arXiv每日学术速递 周一至周五更新
arXiv 2212.02702cond-mat.stat-mech
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过阻尼Langevin方程精确可解模型的过渡路径包络分析

Analysis of Transition Path Ensemble in the Exactly Solvable Models via Overdamped Langevin Equation

De-Zhang Li, Jia-Rui Zeng, Wei-Jie Huang, Yao Yao, Xiao-Bao Yang

摘要:

系统在两种状态之间的跃迁是自然科学中的一个重要而又困难的问题。在这篇文章中,我们研究的过渡问题的框架下的过渡路径集成。利用过阻尼Langevin方法,引入了转移概率的路径积分公式,得到了转移路径空间中的最小作用路径方程.对于跃迁路径系综中的有效采样,我们导出了一个条件过阻尼朗之万方程。在自由粒子系统和调和系统这两个精确可解的模型中,给出了条件概率密度的表达式以及条件Langevin方程和最小作用路径的显式解,分析结果表明条件Langevin方程与跃迁中期望概率分布的一致性.证明了条件朗之万方程是对跃迁路径系综进行抽样的有效工具,最小作用量原理实际上是导致最可几路径的一种途径。

英文摘要:

Transition of a system between two states is an important but difficult problem in natural science. In this article we study the transition problem in the framework of transition path ensemble. Using the overdamped Langevin method, we introduce the path integral formulation of the transition probability and obtain the equation for the minimum action path in the transition path space. For the effective sampling in the transition path ensemble, we derive a conditional overdamped Langevin equation. In two exactly solvable models, the free particle system and the harmonic system, we present the expression of the conditional probability density and the explicit solutions for the conditional Langevin equation and the minimum action path. The analytic results demonstrate the consistence of the conditional Langevin equation with the desired probability distribution in the transition. It is confirmed that the conditional Langevin equation is an effective tool to sample the transition path ensemble, and the minimum action principle actually leads to the most probable path.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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