Crystallization and Local Order in Glass-Forming Binary Mixtures

TL;DR

This paper investigates how local structural arrangements in a simulated glass-forming binary mixture change with composition, revealing a transition from triangulated to cubic coordination and its effect on crystallization rates.

Contribution

It provides new insights into the structural transition and its influence on crystallization in binary glass-forming mixtures.

Findings

Structural transition from triangulated to cubic coordination as B fraction increases.

Change in partial radial distribution function g_{BB}(r) with composition.

Crystallization rate depends on mixture composition and structural changes.

Abstract

The local organisation of a simulated glass-forming mixture due to Kob and Andersen is analysed. Evidence is presented for a structural transition from triangulated coordination polyhedra to cubic as the number fraction of the smaller species B increases towards equimolar. The impact of the change on the partial radial distribution function g-{BB}(r) is established. The dependence of the crystallisation rate on the composition is determined and the related to the observed structural changes.