探测非马尔可夫扩散系统的本征噪声相关时间。

IF 3.1 2区 化学 Q3 CHEMISTRY, PHYSICAL
Ming-Gen Li, Xin-Yao Dong, He-Chuan Liu, Jing-Dong Bao, Peng-Cheng Li, Li-Ming Fan
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引用次数: 0

摘要

广义朗之万方程利用记忆和随机噪声项描述复杂系统中的分子运动。记忆效应,即随机噪声中固有的时间相关性,显著影响分子的扩散行为。然而,固有噪声相关时间的估计仍然具有挑战性,因为难以测量记忆期。我们提出了一种基于构型扩散特征时间与动能空间“扩散运动”特征时间偏差的噪声相关时间度量。这种方法源于观察到记忆效应延迟位移和速度响应函数之间的松弛时间。我们的度量仅依赖于通常用于实验模型参数化的速度自相关函数。对各种物理模型的分析和数值结果都证明了该方法探测噪声相关时间的有效性。此外,我们将该度量应用于复杂扩散现象的研究,包括分子流体力学中的非指数弛豫和拥挤环境中的异常扩散。通过与系统弛豫时间的比较,我们发现在这些非平凡的扩散现象中,长程噪声相关起着关键作用。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Probing intrinsic noise correlation time in non-Markovian diffusive systems.

The generalized Langevin equation describes molecular motion in complex systems using memory and random noise terms. Memory effects, the inherent time correlation in random noise, significantly influence molecular diffusive behaviors. However, estimating the intrinsic noise correlation time remains challenging because of difficulties in measuring the memory term. We propose a metric to probe the noise correlation time based on the deviation between characteristic times of configurational diffusion and "diffusion motion" in the kinetic energy space. This approach stems from the observation that memory effects delay relaxation time between displacement and velocity response functions. Our metric relies solely on the velocity autocorrelation function, commonly used in experimental model parameterization. Both analytical and numerical results for various physical models demonstrate its effectiveness in probing noise correlation time. Furthermore, we apply this metric to study complex diffusive phenomena, including non-exponential relaxation in molecular hydrodynamics and anomalous diffusion in crowded environments. By comparing with system's relaxation time, we reveal that long-range noise correlations play a key role in these non-trivial diffusive phenomena.

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来源期刊
Journal of Chemical Physics
Journal of Chemical Physics 物理-物理:原子、分子和化学物理
CiteScore
7.40
自引率
15.90%
发文量
1615
审稿时长
2 months
期刊介绍: The Journal of Chemical Physics publishes quantitative and rigorous science of long-lasting value in methods and applications of chemical physics. The Journal also publishes brief Communications of significant new findings, Perspectives on the latest advances in the field, and Special Topic issues. The Journal focuses on innovative research in experimental and theoretical areas of chemical physics, including spectroscopy, dynamics, kinetics, statistical mechanics, and quantum mechanics. In addition, topical areas such as polymers, soft matter, materials, surfaces/interfaces, and systems of biological relevance are of increasing importance. Topical coverage includes: Theoretical Methods and Algorithms Advanced Experimental Techniques Atoms, Molecules, and Clusters Liquids, Glasses, and Crystals Surfaces, Interfaces, and Materials Polymers and Soft Matter Biological Molecules and Networks.
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