Understanding fragility in supercooled Lennard-Jones mixtures. II. Potential energy surface
Statistical Mechanics
2007-10-02 v2 Soft Condensed Matter
Abstract
We numerically investigated the connection between isobaric fragility and the properties of high-order stationary points of the potential energy surface in different supercooled Lennard-Jones mixtures. The increase of effective activation energies upon supercooling appears to be driven by the increase of average potential energy barriers measured by the energy dependence of the fraction of unstable modes. Such an increase is sharper, the more fragile is the mixture. Correlations between fragility and other properties of high-order stationary points, including the vibrational density of states and the localization features of unstable modes, are also discussed.
Keywords
Cite
@article{arxiv.0705.0629,
title = {Understanding fragility in supercooled Lennard-Jones mixtures. II. Potential energy surface},
author = {D. Coslovich and G. Pastore},
journal= {arXiv preprint arXiv:0705.0629},
year = {2007}
}
Comments
13 pages, 13 figures, minor revisions, one figure added