Saddles on the potential energy landscape of a Lennard-Jones liquid

Details Saddles on the potential energy landscape of a Lennard-Jones liquid Saddles on the potential energy landscape of a Lennard-Jones liquid

2000-08-09

arxiv.org/abs/cond-mat/0008153v1

AIP Conference Proceedings, Vol. 553, pag. 23 (2001)

Physics

Condensed Matter

Statistical Mechanics

Invited talk presented by A.C. at the Conference: Disordered and Complex Systems, King's College London, July 2000

Scientific paper

10.1063/1.1358158

By means of molecular dynamics simulations, we study the stationary points of the potential energy in a Lennard-Jones liquid, giving a purely geometric characterization of the energy landscape of the system. We find a linear relation between the degree of instability of the stationary points and their potential energy, and we locate the energy where the instability vanishes. This threshold energy marks the border between saddle-dominated and minima-dominated regions of the energy landscape. The temperature where the potential energy of the Stillinger-Weber minima becomes equal to the threshold energy turns out to be very close to the mode-coupling transition temperature.

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