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arxiv: cond-mat/0007258 · v2 · submitted 2000-07-14 · ❄️ cond-mat.stat-mech · cond-mat.dis-nn

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

classification ❄️ cond-mat.stat-mech cond-mat.dis-nn
keywords energypotentiallennard-jonesliquidpointsstationarytemperaturethreshold
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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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