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

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

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Hauptverfasser: Broderix, Kurt, Bhattacharya, Kamal K, Cavagna, Andrea, Zippelius, Annette, Giardina, Irene
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Sprache:eng
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Zusammenfassung:Phys. Rev. Lett. 85, 5360 (2000) 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.
DOI:10.48550/arxiv.cond-mat/0007258