The distinguishable-particle lattice model of glasses in three dimensions

Li, Bo, Lee, Chun-Shing, Gao, Xin-Yuan, Deng, Hai-Yao ORCID: https://orcid.org/0000-0001-6065-483X and Lam, Chi-Hang 2024. The distinguishable-particle lattice model of glasses in three dimensions. Soft Matter 20 (5) , pp. 1009-1017. 10.1039/D3SM01343J Item availability restricted.

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Abstract

The nature of glassy states in realistic finite dimensions is still under fierce debates. Lattice models can offer valuable insights and facilitate deeper theoretical understanding. Recently, a disordered-interacting lattice model with distinguishable particles in two dimensions (2D) has been shown to produce a wide range of dynamical properties of structural glasses, including the slow and heterogeneous characteristics of the glassy dynamics, various fragility behaviors of glasses, and so on. These findings support the usefulness of this model for modeling structural glasses. An important question is whether such properties still hold in the more realistic three dimensions. In this study, we aim to extend the distinguishable-particle lattice model (DPLM) to three dimensions (3D) and explore the corresponding glassy dynamics. Through extensive kinetic Monte Carlo simulations, we found that the 3D DPLM exhibits many typical glassy behaviors, such as plateaus in the mean square displacement of particles and the self-intermediate scattering function, dynamic heterogeneity, variability of glass fragilities, and so on, validating the effectiveness of DPLM in a broader realistic setting. The observed glassy behaviors of 3D DPLM appear similar to its 2D counterpart, in accordance with recent findings in molecular models of glasses. We further investigate the role of void-induced motions in dynamical relaxations and discuss its relation to dynamic facilitation. As lattice models tend to keep the minimal but important modeling elements, they are typically much more amenable to analysis. Therefore, we envisage that the DPLM will benefit future theoretical developments, such as the configuration tree theory, towards a more comprehensive understanding of structural glasses.

Item Type:	Article
Date Type:	Publication
Status:	Published
Schools:	Physics and Astronomy
Publisher:	Royal Society of Chemistry
ISSN:	1744-683X
Date of First Compliant Deposit:	23 December 2023
Date of Acceptance:	15 December 2023
Last Modified:	11 Nov 2024 05:45
URI:	https://orca.cardiff.ac.uk/id/eprint/165051

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