Modeling multiple time scales during glass formation with phase-field crystals

TL;DR

This paper introduces a microscopic field theory combining phase field crystal models and dynamic density functional theory to simulate glass formation across multiple time scales, aligning with mode coupling theory and revealing a growing correlation length in fragile liquids.

Contribution

It presents a novel stochastic framework that effectively models glass formation dynamics over multiple time scales, bridging microscopic theories with observed glassy behaviors.

Findings

Agreement with mode coupling theory for underdamped liquids

Identification of a rapidly growing dynamic correlation length in fragile liquids

Successful description of glass formation dynamics across multiple time scales

Abstract

The dynamics of glass formation in monatomic and binary liquids are studied numerically using a microscopic field theory for the evolution of the time-averaged atomic number density. A stochastic framework combining phase field crystal free energies and dynamic density functional theory is shown to successfully describe several aspects of glass formation over multiple time scales. Agreement with mode coupling theory is demonstrated for underdamped liquids at moderate supercoolings, and a rapidly growing dynamic correlation length is found to be associated with fragile behavior.