Energy Landscape of a Lennard-Jones Liquid: Statistics of Stationary Points

Kurt Broderix, Kamal K. Bhattacharya, Andrea Cavagna, Annette Zippelius, and Irene Giardina
Phys. Rev. Lett. 85, 5360 – Published 18 December 2000
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Abstract

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 uth, 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 uth at a temperature close to the mode-coupling transition temperature Tc.

  • Received 17 July 2000

DOI:https://doi.org/10.1103/PhysRevLett.85.5360

©2000 American Physical Society

Authors & Affiliations

Kurt Broderix1, Kamal K. Bhattacharya1, Andrea Cavagna2, Annette Zippelius1, and Irene Giardina3

  • 1Institut für Theoretische Physik, Universität Göttingen, Bunsenstrasse 9, D-37073 Göttingen, Germany
  • 2Department of Physics and Astronomy, The University, Manchester, M13 9PL, United Kingdom
  • 3Service de Physique Thèorique, CEA Saclay, 91191 Gif-sur-Yvette, France

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Vol. 85, Iss. 25 — 18 December 2000

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