4.7 Article

Localized soft modes and the supercooled liquid's irreversible passage through its configuration space

期刊

JOURNAL OF CHEMICAL PHYSICS
卷 131, 期 19, 页码 -

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AMER INST PHYSICS
DOI: 10.1063/1.3265983

关键词

glass transition; liquid structure; liquid theory; localised modes; supercooling

资金

  1. NSF
  2. Australian Research Council

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Using computer simulations, we show that the localized low frequency normal modes of a configuration in a supercooled liquid are strongly correlated with the irreversible structural reorganization of the particles within that configuration. Establishing this correlation constitutes the identification of the aspect of a configuration that determines the heterogeneity of the subsequent motion. We demonstrate that the spatial distribution of the summation over the soft local modes can persist in spite of particle reorganization that produces significant changes in individual modes. Along with spatial localization, the persistent influence of soft modes in particle relaxation results in anisotropy in the displacements of mobile particles over the time scale referred to as beta-relaxation.

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