Crossover to Potential Energy Landscape Dominated Dynamics in a Model Glass-forming Liquid

Thomas B. Schroeder; Srikanth Sastry; Jeppe C. Dyre; Sharon C. Glotzer

doi:10.1063/1.481621

paper

Crossover to Potential Energy Landscape Dominated Dynamics in a Model Glass-forming Liquid

arXiv:cond-mat/9901271 · doi: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, $T_{x}$ , the liquid's dynamics can be separated into (i) vibrations around inherent structures and (ii) transitions between inherent structures (M. Goldstein, J. Chem. Phys. {\bf 51}, 3728 (1969)), i.e., the dynamics become ``dominated'' by the potential energy landscape. In agreement with previous proposals, we find that $T_{x}$ is within the vicinity of the mode-coupling critical temperature $T_{c}$ . We further find that at the lowest temperature simulated (close to $T_{x}$ ), transitions between inherent structures involve cooperative, string like rearrangements of groups of particles moving distances substantially smaller than the average interparticle distance.

Expanded from 4 to 7 pages

Crossover to Potential Energy Landscape Dominated Dynamics in a Model Glass-forming Liquid

Abstract

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