Crystallization of the Wahnström Binary Lennard-Jones Liquid

Details Crystallization of the Wahnström Binary Lennard-Jones Liquid Crystallization of the Wahnström Binary Lennard-Jones Liquid

2007-06-06

arxiv.org/abs/0706.0813v2

Physics

Condensed Matter

Materials Science

4 pages, 4 figures; corrected typos

Scientific paper

We report observation of crystallization of the glass-forming binary Lennard-Jones liquid first used by Wahnstr\"om [G. Wahnstr\"om, Phys. Rev. A 44, 3752 (1991)]. Molecular dynamics simulations of the metastable liquid on a timescale of microseconds were performed. The liquid crystallized spontaneously. The crystal structure was identified as MgZn_2. Formation of transient crystallites is observed in the liquid. The crystallization is investigate at different temperatures and compositions. At high temperature the rate of crystallite formation is the limiting factor, while at low temperature the limiting factor is growth rate. The melting temperature of the crystal is estimated to be T_m=0.93 at rho=0.82. The maximum crystallization rate of the A_2B composition is T=0.60+/-0.02.

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