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玻璃的随机约束促进随机游走模型中的紧急促进作用。

Emergent facilitation by random constraints in a facilitated random walk model of glass.

作者信息

Lam Leo S I, Deng Hai-Yao, Zhang Wei-Bing, Nwankwo Udoka, Xiao Chu, Yip Cho-Tung, Lee Chun-Shing, Ruan Haihui, Lam Chi-Hang

机构信息

Hong Kong Polytechnic University, Department of Mechanical Engineering, Hong Kong, China.

Cardiff University, School of Physics and Astronomy, 5 The Parade, Cardiff CF24 3AA, Wales, United Kingdom.

出版信息

Phys Rev E. 2025 Apr;111(4-1):044120. doi: 10.1103/PhysRevE.111.044120.

DOI:10.1103/PhysRevE.111.044120
PMID:40410997
Abstract

The physics of glass has been a significant topic of interest for decades. Dynamical facilitation is widely believed to be an important characteristic of glassy dynamics, but the precise mechanism is still under debate. We propose a lattice model of glass called the facilitated random walk (FRW). Each particle performs a continuous time random walk in the presence of its own random local kinetic constraints. The particles do not interact energetically. Instead, they interact kinetically with a hopping rate resampling rule under which motions of a particle can randomly perturb the local kinetic constraints of other particles. This dynamic interaction is reversible, following a rate restoration rule. A step-by-step reversal of the particle motions exactly restores the previous constraints, modeling randomness quenched in the configuration space of glass. The model exhibits stretched exponential relaxation and dynamical heterogeneity typical of glasses. Despite the lack of an explicit facilitation rule, the FRW shows facilitation behaviors closely analogous to those of the kinetically constrained models (KCM). The FRW is a coarse-grained version of the distinguishable particle lattice model (DPLM) and this exemplifies that compatible defect and atomistic models can complement each other in the study of glass.

摘要

几十年来,玻璃物理学一直是一个备受关注的重要课题。动力学促进作用被广泛认为是玻璃态动力学的一个重要特征,但其确切机制仍在争论之中。我们提出了一种名为促进随机游走(FRW)的玻璃晶格模型。每个粒子在其自身随机的局部动力学约束条件下进行连续时间随机游走。粒子之间不存在能量相互作用。相反,它们通过跳跃率重采样规则进行动力学相互作用,在这种规则下,一个粒子的运动可以随机扰动其他粒子的局部动力学约束。这种动态相互作用是可逆的,遵循速率恢复规则。粒子运动的逐步反向操作能精确恢复先前的约束条件,模拟了玻璃构型空间中被淬灭的随机性。该模型呈现出玻璃典型的拉伸指数弛豫和动力学非均匀性。尽管缺乏明确的促进规则,但FRW表现出与动力学约束模型(KCM)极为相似的促进行为。FRW是可区分粒子晶格模型(DPLM)的粗粒化版本,这例证了在玻璃研究中,兼容的缺陷模型和原子模型可以相互补充。

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