Large heat-capacity jump in cooling-heating of fragile glass from kinetic Monte Carlo simulations based on a two-state picture

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
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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