Diverging Static Length Scales and Clustering in Cold Lennard-Jones Fluids

TL;DR

This study uses molecular dynamics simulations to identify two static length scales in a Lennard-Jones fluid, revealing diverging behavior at low temperatures and static clustering above the melting point, consistent with frustration-limited cluster glass models.

Contribution

It uncovers two distinct static length scales in Lennard-Jones fluids and links static clustering behavior to frustration-limited models, advancing understanding of glass formation.

Findings

Longer static length scale diverges at low temperatures.

Static clusters form above the melting point with temperature-independent maximum radius.

Cluster properties align with frustration-limited cluster glass models.

Abstract

We report molecular-dynamics simulations on a three-dimensional two-component Lennard-Jones fluid. We identify two distinct static length scales. The longer length scale, which diverges at low temperatures, is continuous with the high-temperature static correlation length. The shorter length scale reflects static clusters that form below a T_mc of approximately 2 well above an apparent melting point T_m of approximately 1.08. We partially visualize the clusters; their maximum radius is temperature-independent. Cluster static and dynamic properties match Kivelson's model (S. A. Kivelson, et al., J. Chem. Phys. 101, 2391 (1994)) for frustration-limited cluster-forming glasses.