Mean-field dynamic criticality and geometric transition in the Gaussian core model

TL;DR

This study uses molecular dynamics to explore dynamic heterogeneities and energy landscapes in the Gaussian core model, revealing mean-field criticality features in a realistic 3D system.

Contribution

It demonstrates the presence of mean-field dynamic criticality and geometric transition in a physically realistic three-dimensional model, supported by simulations.

Findings

Giant dynamic heterogeneities near the transition temperature

Divergence of four-point susceptibility matches Mode-Coupling theory

Potential energy landscape shows geometric transition and high energy barriers

Abstract

We use molecular dynamics simulations to investigate dynamic heterogeneities and the potential energy landscape of the Gaussian core model (GCM). Despite the nearly Gaussian statistics of particles' displacements, the GCM exhibits giant dynamic heterogeneities close to the dynamic transition temperature. The divergence of the four-point susceptibility is quantitatively well described by the inhomogeneous version of the Mode-Coupling theory. Furthermore, the potential energy landscape of the GCM is characterized by a geometric transition and large energy barriers, as expected from the lack of activated, hopping dynamics. These observations demonstrate that all major features of mean-field dynamic criticality can be observed in a physically sound, three-dimensional model.