Potential Energy Landscape in Lennard-Jones binary mixture model

Details Potential Energy Landscape in Lennard-Jones binary mixture model Potential Energy Landscape in Lennard-Jones binary mixture model

2003-01-31

arxiv.org/abs/cond-mat/0302005v1

Physics

Condensed Matter

Disordered Systems and Neural Networks

15 pages, 8 figures, to be published on Journal of Physics: Cond. Matt

Scientific paper

10.1088/0953-8984/15/11/340

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.

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