Crossover in atomic mobility underlying the glass transition in inorganic glasses
File(s)Cockrell_2025_J._Phys.__Condens._Matter_37_095402.pdf (3.51 MB)
Published version
Author(s)
Cockrell, C
Grimes, RW
Type
Journal Article
Abstract
While the glass transition is easy to identify macroscopically, the underlying atomic mechanisms which facilitate the transition from amorphous solid to fluid are still poorly understood. We conduct classical molecular dynamics simulations on a variety of inorganic glasses in order to identify these mechanisms. While also modelling larger systems, we find that the essential qualities which constitute a glass and its transition to a liquid are present even in systems containing only a few hundred atoms. The transition is therefore a local phenomenon. Atomic mobility, the ability of an atom to escape its local coordination environment, is identified as a universal marker of the glass transition. In the solid state, the fraction of mobile atoms is negligible, whereas in the liquid state, effectively all atoms are mobile. The glass transition is continuous between these limiting states, with half of the network forming atoms attaining mobility exactly at the glass transition temperature, over a specific mobility half life, informed by thermodynamics. Over time, network forming atoms which were immobile may swap to become mobile and vice versa, though the population of mobile atoms remains a half.
Date Issued
2025-03-03
Date Acceptance
2024-12-16
Citation
Journal of Physics: Condensed Matter, 2025, 37 (9)
ISSN
0953-8984
Publisher
IOP Publishing
Journal / Book Title
Journal of Physics: Condensed Matter
Volume
37
Issue
9
Copyright Statement
Original content from this work may be used under the terms of the Creative Commons Attribution 4.0 license. Any further distribution of this work must maintain attribution to the author(s) and the title of the work, journal citation and DOI.
License URL
Identifier
https://doi.org/10.1088/1361-648x/ad9fc8
Publication Status
Published
Article Number
095402
Date Publish Online
2024-12-27