Energy landscape of a Lennard-Jones liquid: Statistics of stationary points

Details Energy landscape of a Lennard-Jones liquid: Statistics of stationary points Energy landscape of a Lennard-Jones liquid: Statistics of stationary points

2000-07-14

arxiv.org/abs/cond-mat/0007258v2

Phys. Rev. Lett. 85, 5360 (2000)

Physics

Condensed Matter

Statistical Mechanics

4 RevTeX pages, 6 eps figures. Revised version

Scientific paper

10.1103/PhysRevLett.85.5360

Molecular dynamics simulations are used to generate an ensemble of saddles of the potential energy of a Lennard-Jones liquid. Classifying all extrema by their potential energy u and number of unstable directions k, a well defined relation k(u) is revealed. The degree of instability of typical stationary points vanishes at a threshold potential energy, which lies above the energy of the lowest glassy minima of the system. The energies of the inherent states, as obtained by the Stillinger-Weber method, approach the threshold energy at a temperature close to the mode-coupling transition temperature Tc.

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