Potential Energy Landscape in Lennard-Jones binary mixture model
Disordered Systems and Neural Networks
2016-08-31 v1 Materials Science
Abstract
The potential energy landscape in the Kob-Andersen Lennard-Jones binary mixture model has been studied carefully from liquid down to the supercooled regime, from T =2 down to T =0.46. One thousand of independent configurations along the time evolution have been examined at each investigated temperature. From the starting configuration we searched the nearest saddle (or quasi-saddle) and minimum of the potential energy. The vibrational densities of states for the starting and the two derived configurations have been evaluated. Besides the number of negative eigenvalues of saddle, other quantities show some signature of the approaching of the dynamical arrest temperature.
Keywords
Cite
@article{arxiv.cond-mat/0302005,
title = {Potential Energy Landscape in Lennard-Jones binary mixture model},
author = {M. Sampoli and P. Benassi and R. Eramo and L. Angelani and G. Ruocco},
journal= {arXiv preprint arXiv:cond-mat/0302005},
year = {2016}
}
Comments
15 pages, 8 figures, to be published on Journal of Physics: Cond. Matt