COOLING RATE DEPENDENCE AND DYNAMIC HETEROGENEITY BELOW THE GLASS TRANSITION IN A LENNARD–JONES GLASS

K. Vollmayr-Lee (), W. Kob, K. Binder and A. Zippelius
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K. Vollmayr-Lee: Department of Physics, Bucknell University, Lewisburg, PA 17837, USA
W. Kob: Institute of Physics, Johannes-Gutenberg-University Mainz, Staudinger Weg 7, 55099 Mainz, Germany
K. Binder: Institute of Physics, Johannes-Gutenberg-University Mainz, Staudinger Weg 7, 55099 Mainz, Germany
A. Zippelius: Institute of Theoretical Physics, Georg-August-University Göttingen, Bunsenstr. 9, 37073 Göttingen, Germany

International Journal of Modern Physics C (IJMPC), 1999, vol. 10, issue 08, 1443-1451

Abstract: We investigate a binary Lennard–Jones mixture with molecular dynamics simulations. We consider first a system cooled linearly in time with the cooling rateγ. By varyingγover almost four decades we study the influence of the cooling rate on the glass transition and on the resulting glass. We find for all investigated quantities a cooling rate dependence; with decreasing cooling rate the system falls out of equilibrium at decreasing temperatures, reaches lower enthalpies and obtains increasing local order. Next we study the dynamics of the melting process by investigating the most immobile and most mobile particles in the glass. We find that their spatial distribution is heterogeneous and that the immobile/mobile particles are surrounded by denser/less dense cages than an average particle.

Keywords: Glass; Heterogeneity; Computer simulation; History dependence; Structure; Dynamics (search for similar items in EconPapers)
Date: 1999
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DOI: 10.1142/S0129183199001224

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