Stability of supercooled binary liquid mixtures

Details Stability of supercooled binary liquid mixtures Stability of supercooled binary liquid mixtures

2008-11-07

arxiv.org/abs/0811.1117v1

J. Chem. Phys. 130, 224501 (2009)

Physics

Condensed Matter

Soft Condensed Matter

Scientific paper

10.1063/1.3144049

The supercooled Kob-Andersen binary Lennard-Jones (KABLJ) mixture crystallizes partially in lengthy computer simulations by forming pure FCC crystals of the majority component. The general thermodynamic and kinetic stability of supercooled binary mixtures is discussed, emphasizing the importance of negative mixing enthalpy whenever present. Based on this a modification of the KABLJ mixture is proposed that is less prone to crystallization and faster to simulate; this is obtained by removing the like-particle attractions by switching to Weeks-Chandler-Andersen type potentials while maintaining the unlike-particle attraction.

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