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 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.

Automated summary

This article proposes a distinguishable-particle glassy model suitable for molecular dynamics simulation of structural glasses. The kinetic fragility of supercooled liquids can be sensitively tuned by changing the distribution of particle interactions. Liquid-liquid phase transitions are observed above the glass transition in the model liquid, and these transitions are facilitated by lowering fragility.