Terminal polydispersity in the crystallization of polydisperse Lennard-Jones liquid

Details Terminal polydispersity in the crystallization of polydisperse Lennard-Jones liquid Terminal polydispersity in the crystallization of polydisperse Lennard-Jones liquid

2011-09-25

arxiv.org/abs/1109.5374v1

Physics

Condensed Matter

Soft Condensed Matter

13 pages, 3 figures

Scientific paper

We find through computer simulations that the fractional volume change on freezing of polydisperse Lennard-Jones liquid decreases with increasing polydispersity and approaches zero near a terminal polydispersity of 0.11, independent of temperature. The transition however remains first order at terminal polydispersity. Average inherent structure (IS) energy of the crystalline phase increases nearly quadratically with polydispersity indices ({\delta}) and marked by a crossover to nearly constant IS energy in the amorphous phase.

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