Crossover to potential energy landscape dominated dynamics in a model glass-forming liquid

Schrøder, Thomas B. ; Sastry, Srikanth ; Dyre, Jeppe C. ; Glotzer, Sharon C. (2000) Crossover to potential energy landscape dominated dynamics in a model glass-forming liquid Journal of Chemical Physics, 112 (22). pp. 9834-9840. ISSN 0021-9606

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Official URL: http://jcp.aip.org/resource/1/jcpsa6/v112/i22/p983...

Related URL: http://dx.doi.org/10.1063/1.481621

Abstract

An equilibrated model glass-forming liquid is studied by mapping successive configurations produced by molecular dynamics simulation onto a time series of inherent structures (local minima in the potential energy). Using this "inherent dynamics" approach we find direct numerical evidence for the long held view that below a crossover temperature, Tx, the liquid's dynamics can be separated into (i) vibrations around inherent structures and (ii) transitions between inherent structures [M. Goldstein, J. Chem. Phys. 51, 3728 (1969)], i.e., the dynamics become "dominated" by the potential energy landscape. In agreement with previous proposals, we find that Tx is within the vicinity of the mode-coupling critical temperature Tc. We further find that near Tx, transitions between inherent structures occur via cooperative, stringlike rearrangements of groups of particles moving distances substantially smaller than the average interparticle distance.

Item Type:Article
Source:Copyright of this article belongs to American Institute of Physics.
Keywords:Glass Transition; Liquid Theory; Molecular Dynamics Method
ID Code:50151
Deposited On:21 Jul 2011 14:26
Last Modified:21 Jul 2011 14:26

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