Kob-Andersen model crystal structure: genetic algorithms vs spontaneous crystallization

TL;DR

This study uses genetic algorithms to identify stable crystal structures of the Kob-Andersen mixture and assesses their spontaneous crystallization potential, providing new insights into its structural properties.

Contribution

First application of genetic algorithms to determine stable crystal structures of the Kob-Andersen mixture and evaluate their spontaneous crystallization.

Findings

Identified stable structures at various molar fractions.

Verified stability of structures at finite temperature.

Assessed the feasibility of spontaneous crystallization.

Abstract

For the first time, the crystal structure of the Kob-Andersen mixture has been probed by genetic algorithms calculations. The stable structures of the system with different molar fractions of the components have been identified and their stability at finite temperature has been verified. A possibility to obtain these structures by spontaneous crystallization of a liquid has been checked.