Comparative analysis of different preparation methods of chalcogenide glasses: Molecular dynamics structure simulations

TL;DR

This study uses molecular dynamics simulations to compare how liquid-quenching and evaporation methods affect the structure and homogeneity of chalcogenide glasses, revealing significant differences based on preparation technique.

Contribution

It provides a detailed molecular dynamics comparison of two common preparation methods for chalcogenide glasses, highlighting their impact on structural homogeneity.

Findings

Significant structural differences observed between preparation methods

Homogeneity varies notably with the method used

Molecular dynamics effectively captures structural changes

Abstract

Two different preparation methods (liquid-quenching and evaporation) of chalcogenide glasses have been investigated by molecular dynamics simulations. Our particular aim was to determine how the structural changes occur due to the different preparation methods. We applied a classical empirical three-body potential of selenium to describe the interactions between atoms. Our simulation shows that a significant difference can be observed in the homogeneities.