Crystallization of the Kob-Andersen binary Lennard-Jones liquid

TL;DR

This study examines the crystallization behavior of the Kob-Andersen binary Lennard-Jones liquid, revealing that phase separation triggers crystallization, which can be suppressed by modifying particle interactions, preventing crystallization.

Contribution

The paper introduces a modified Kob-Andersen system without same-type attraction, demonstrating suppression of crystallization and phase separation.

Findings

Original Kob-Andersen liquid crystallizes via phase separation.

Removing same-type attraction prevents crystallization.

Crystallization occurs within 10-100 microseconds in the original system.

Abstract

At density 1.2 the Kob-Andersen binary Lennard-Jones liquid partly crystallizes in the temperature interval [0.39, 0.44] after typically 10-100 microseconds (Argon units). The crystallization is initiated by a phase separation where the large (A) particles cluster in a volume void of B particles. We investigate a modification of the Kob-Andersen system where the attraction between particles of the same type is removed, thus disfavoring phase separation. We have not been able to crystallize this new system.