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Hopping in a supercooled Lennard-Jones liquid: Metabasins, waiting time distribution, and diffusion

B. Doliwa and A. Heuer
Phys. Rev. E 67, 030501(R) – Published 12 March 2003
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Abstract

We investigate the jump motion among potential energy minima of a Lennard-Jones model glass former by extensive computer simulation. From the time series of minima energies, it becomes clear that the energy landscape is organized in superstructures called metabasins. We show that diffusion can be pictured as a random walk among metabasins, and that the whole temperature dependence resides in the distribution of waiting times. The waiting time distribution exhibits algebraic decays: τ1/2 for very short times and τα for longer times, where α2 near Tc. We demonstrate that solely the waiting times in the very stable basins account for the temperature dependence of the diffusion constant.

  • Received 14 May 2002

DOI:https://doi.org/10.1103/PhysRevE.67.030501

©2003 American Physical Society

Authors & Affiliations

B. Doliwa1 and A. Heuer2

  • 1Max Planck Institute for Polymer Research, 55128 Mainz, Germany
  • 2Institute of Physical Chemistry, University of Münster, Münster, Germany

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Vol. 67, Iss. 3 — March 2003

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