arXiv:cond-mat/0007258AbstractReferencesReviewsResources
Energy landscape of a Lennard-Jones liquid: Statistics of stationary points
Kurt Broderix, Kamal K. Bhattacharya, Andrea Cavagna, Annette Zippelius, Irene Giardina
Published 2000-07-14, updated 2001-04-09Version 2
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.