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Fragilities of liquids predicted from the random first order transition theory of glasses

1999/12/23 by Xiaoyu Xia, Peter G. Wolynes · 11 citations
Materials Science · Physics and Astronomy · #Material Dynamics and Properties #Theoretical and Computational Physics #cond-mat.dis-nn

paper · pdf · doi:10.1073/pnas.97.7.2990

10 pages including 4 eps figures

arxiv created 1999/12/23 · openalex publication_date 2000/03/28 · arxiv updated 2009/11/30 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Abstract

A microscopically motivated theory of glassy dynamics based on an underlying random first order transition is developed to explain the magnitude of free energy barriers for glassy relaxation. A variety of empirical correlations embodied in the concept of liquid "fragility" are shown to be quantitatively explained by such a model. The near universality of a Lindemann ratio characterizing the maximal amplitude of thermal vibrations within an amorphous minimum explains the variation of fragility with a liquid's configurational heat capacity density. Furthermore, the numerical prefactor of this correlation is well approximated by the microscopic calculation. The size of heterogeneous reconfiguring regions in a viscous liquid is inferred and the correlation of nonexponentiality of relaxation with fragility is qualitatively explained. Thus the wide variety of kinetic behavior in liquids of quite disparate chemical nature reflects quantitative rather than qualitative differences in their energy landscapes.

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