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arXiv · 0712.0377

Crystallization of the Kob-Andersen binary Lennard-Jones liquid

Søren Toxvaerd·Thomas B. Schrøder·Jeppe C. Dyre
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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.

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Søren Toxvaerd, Thomas B. Schrøder, Jeppe C. Dyre. 2008-02-09. Crystallization of the Kob-Andersen binary Lennard-Jones liquid. https://doi.org/10.1063/1.3144049

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