Terminal polydispersity in the crystallization of polydisperse Lennard-Jones liquid
Soft Condensed Matter
2011-09-27 v1
Abstract
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.
Keywords
Cite
@article{arxiv.1109.5374,
title = {Terminal polydispersity in the crystallization of polydisperse Lennard-Jones liquid},
author = {Sarmistha Sarkar and Mantu Santra and Biman Bagchi},
journal= {arXiv preprint arXiv:1109.5374},
year = {2011}
}
Comments
13 pages, 3 figures