Dynamic heterogeneity and non-Gaussian behaviour in a model supercooled liquid

M. Scott Shell, Pablo G. Debenedetti, Frank H. Stillinger

Research output: Contribution to journalArticle

50 Scopus citations

Abstract

We use a recently derived reformulation of the diffusion constant (Stillinger and Debenedetti 2005 J. Phys. Chem. B 109 6604) to investigate heterogeneous dynamics and non-Gaussian diffusion in a binary Lennard-Jones mixture. Our work focuses on the joint probability distribution of particles with velocity v0 at time t ≤ 0 and eventual displacement Δx at time t ≤ Δt. We show that this distribution attains a distinctive shape at the time of maximum non-Gaussian behaviour in the supercooled liquid. By performing a two-Gaussian fit of the displacement data, we obtain, in a non-arbitrary manner, two diffusive length scales inherent to the supercooled liquid and use them to identify spatially separated regions of mobile and immobile particles.

Original languageEnglish (US)
Pages (from-to)S4035-S4046
JournalJournal of Physics Condensed Matter
Volume17
Issue number49
DOIs
StatePublished - Dec 14 2005

All Science Journal Classification (ASJC) codes

  • Materials Science(all)
  • Condensed Matter Physics

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