Control of thermodynamic liquid-liquid phase transition in a fragility-tunable glassy model

We propose a distinguishable-particle glassy model suitable for the molecular dynamics simulation of structural glasses. This model can sensitively tune the kinetic fragility of supercooled liquids in a wide range by simply changing the distribution of particle interactions. In the model liquid, we...

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Bibliographic Details
Published in:Physical review. E 2023-11, Vol.108 (5-2), p.055301-055301, Article 055301
Main Authors: Qin, Hai-Rong, Lee, Chun-Shing, Lü, Yong-Jun
Format: Article
Language:English
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Summary:We propose a distinguishable-particle glassy model suitable for the molecular dynamics simulation of structural glasses. This model can sensitively tune the kinetic fragility of supercooled liquids in a wide range by simply changing the distribution of particle interactions. In the model liquid, we observe the occurrence of thermodynamic liquid-liquid phase transitions above glass transition. The phase transition is facilitated by lowering fragility. Prior to the liquid-liquid phase transition, our simulations verify the existence of a constant-volume heat capacity maximum varying with fragility. We reveal the characteristics of the equilibrium potential energy landscape in liquids with different fragility. Within the Gaussian excitation model, the liquid-liquid transition as well as the response to fragility is reasonably interpreted in configuration space.
ISSN:2470-0045
2470-0053
DOI:10.1103/PhysRevE.108.055301