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Crystallization of the Kob-Andersen binary Lennard-Jones liquid

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.

preprint2008arXivOpen access
Søren ToxvaerdThomas B. SchrøderJeppe C. Dyre
cond-mat.soft
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Open access3 authors1 topic
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Søren ToxvaerdThomas B. SchrøderJeppe C. Dyre

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