{"title":"Probing intrinsic noise correlation time in non-Markovian diffusive systems.","authors":"Ming-Gen Li, Xin-Yao Dong, He-Chuan Liu, Jing-Dong Bao, Peng-Cheng Li, Li-Ming Fan","doi":"10.1063/5.0266278","DOIUrl":null,"url":null,"abstract":"<p><p>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.</p>","PeriodicalId":15313,"journal":{"name":"Journal of Chemical Physics","volume":"162 18","pages":""},"PeriodicalIF":3.1000,"publicationDate":"2025-05-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Chemical Physics","FirstCategoryId":"92","ListUrlMain":"https://doi.org/10.1063/5.0266278","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
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.
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.