Lee, Chun-Shing, Deng, Hai-Yao ORCID: https://orcid.org/0000-0001-6065-483X, Yip, Cho-Tung and Lam, Chi-Hang 2021. Large heat-capacity jump in cooling-heating of fragile glass from kinetic Monte Carlo simulations based on a two-state picture. Physical Review E 104 (2) , 024131. 10.1103/PhysRevE.104.024131 |
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Abstract
The specific-heat capacity c v of glass formers undergoes a hysteresis when subjected to a cooling-heating cycle, with a larger c v and a more pronounced hysteresis for fragile glasses than for strong ones. Here we show that these experimental features, including the unusually large magnitude of c v of fragile glasses, are well reproduced by kinetic Monte Carlo and equilibrium study of a distinguishable particle lattice model incorporating a two-state picture of particle interactions. The large c v in fragile glasses is caused by a dramatic transfer of probabilistic weight from high-energy particle interactions to low-energy ones as temperature decreases.
Item Type: | Article |
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Date Type: | Publication |
Status: | Published |
Schools: | Physics and Astronomy |
Publisher: | American Physical Society |
ISSN: | 2470-0045 |
Date of First Compliant Deposit: | 26 August 2021 |
Date of Acceptance: | 3 August 2021 |
Last Modified: | 03 May 2023 16:03 |
URI: | https://orca.cardiff.ac.uk/id/eprint/143703 |
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