Cooling rate dependence of the internal structure of a Lennard-Jones glass

TL;DR

This study uses molecular dynamics simulations to explore how the cooling rate affects the internal structure and enthalpy of a Lennard-Jones glass, revealing that faster cooling leads to different cluster formations.

Contribution

It demonstrates the relationship between cooling rate and internal structural changes in Lennard-Jones glasses through detailed cluster analysis.

Findings

Internal structure varies with cooling rate

Enthalpy changes are linked to structural differences

Cooling rate influences cluster formation patterns

Abstract

Using molecular dynamics computer simulations we investigate the dependence of bulk properties of a Lennard-Jones glass on the cooling rate with which the glass was produced. By studying the clusters formed by the nearest neighbor shells of the particles, we show that the internal structure of the glass depends on the cooling rate and that the cooling rate dependence of the enthalpy of the glass can be understood by the change of this internal structure.