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arXiv 2609.17140physics.chem-ph

非马尔可夫系统中具有非单调衰减记忆的反应动力学

Reaction dynamics in non-Markovian systems with non-monotonically decaying memory

  • Freie Universität Berlin(柏林自由大学)

机构由 AI 辅助整理,请以论文原文为准。

Artur Bakaev, Otto Geburtig, Benjamin A. Dalton, Roland R. Netz

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AI总结:

本研究通过模拟和理论分析,揭示了非马尔可夫系统中振荡摩擦记忆核下势垒穿越动力学的三个标度区域,为理解相关多体系统提供了新见解。

AI中文摘要:

虽然单调衰减的记忆核对反应动力学的影响已被广泛研究,但在广泛不同的系统中观察到的振荡记忆的影响却鲜有探索。我们通过模拟和分析理论,分析了在单个指数衰减的振荡摩擦记忆核存在下的非马尔可夫势垒穿越动力学。我们确定了三个标度区域:其中两个区域中,平均首次通过时间 $τ_{\mathrm{MFP}}$ 分别与记忆核衰减时间 $τ_{\mathrm{o}}$ 呈四次方和线性标度关系,第三个区域中 $τ_{\mathrm{MFP}}$ 与记忆核振荡周期 $τ_φ$ 呈四次方标度关系。我们的结果与广泛的多体动力学系统相关,例如二面角异构化过程和溶剂中的化学反应。

英文摘要:

Whereas the effect of monotonically decaying memory kernels on reaction dynamics has been studied extensively, the effect of oscillatory memory, observed for widely different systems, is much less explored. We analyze non-Markovian barrier-crossing dynamics in the presence of a single exponentially decaying oscillatory friction memory kernel by simulations and analytical theory. We identify three scaling regimes: two in which the mean first-passage time $τ_{\mathrm{MFP}}$ scales quartically and linearly with the memory kernel decay time $τ_{\mathrm{o}}$, respectively, and a third in which $τ_{\mathrm{MFP}}$ scales quartically with the oscillation period $τ_φ$ of the memory kernel. Our results are relevant to a broad class of many-body dynamical systems such as dihedral isomerization processes and chemical reactions in solvents.

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