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拥挤系统中扩散粒子中间亚扩散机制的模拟研究

Simulation Study on the Mechanism of Intermediate Subdiffusion of Diffusive Particles in Crowded Systems.

作者信息

Luo Meng-Bo, Hua Dao-Yang

机构信息

School of Physics, Zhejiang University, Hangzhou 310027, China.

出版信息

ACS Omega. 2023 Sep 7;8(37):34188-34195. doi: 10.1021/acsomega.3c05945. eCollection 2023 Sep 19.

Abstract

The intermediate subdiffusion of diffusive particles in crowded systems is studied for two model systems: the continuous time random walk (CTRW) model and the obstruction-binding model. For the CTRW model with an arbitrarily given longest waiting time τ, we find that the diffusive particle exhibits subdiffusion below τ and recovers normal diffusion above τ. For the obstruction-binding model with randomly distributed attractive obstacles, the diffusion of the diffusive particle is dependent on the binding energy and the density of obstacles. Interestingly, diffusion curves for different binding strengths can be overlapped by rescaling the simulation time, indicating that the diffusive particle in the obstruction-binding model can change from the intermediate subdiffusion to the normal diffusion at a long-term simulation scale. The results of the two model systems show that the diffusive particles only exhibit intermediate subdiffusion below the longest waiting time. Therefore, long timescale subdiffusion would only be observed in the CTRW model with an infinitely long waiting time and in the obstruction-binding model with an infinitely large binding strength.

摘要

针对两个模型系统研究了拥挤系统中扩散粒子的中间亚扩散

连续时间随机游走(CTRW)模型和障碍-结合模型。对于具有任意给定最长等待时间τ的CTRW模型,我们发现扩散粒子在τ以下呈现亚扩散,在τ以上恢复正常扩散。对于具有随机分布吸引性障碍物的障碍-结合模型,扩散粒子的扩散取决于结合能和障碍物密度。有趣的是,通过重新缩放模拟时间,不同结合强度的扩散曲线可以重叠,这表明在长期模拟尺度下,障碍-结合模型中的扩散粒子可以从中间亚扩散转变为正常扩散。这两个模型系统的结果表明,扩散粒子仅在最长等待时间以下呈现中间亚扩散。因此,只有在具有无限长等待时间的CTRW模型和具有无限大结合强度的障碍-结合模型中才能观察到长时间尺度的亚扩散。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/3609/10515404/fa899f396af3/ao3c05945_0002.jpg

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