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Predictive statistical mechanics for glass forming systems

2009/05/25 by Laurent Boué, Laurent Boue, Edan Lerner +2 · 1 citation
Chemistry · Materials Science · Physics and Astronomy · #Advanced Physical and Chemical Molecular Interactions #Entropy (arrow of time) #Glass properties and applications #Glass transition #Material Dynamics and Properties #Principle of maximum entropy #Scale (ratio) #Simple (philosophy) #Statistical mechanics #Statistical model #Statistical theory #cond-mat.stat-mech #nlin.CD

paper · pdf · doi:10.1088/1742-5468/2009/11/p11010

10 pages, 16 figures, 2 tables

arxiv created 2009/05/25 · openalex publication_date 2009/11/20 · arxiv updated 2015/05/13 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05

Abstract

Using two extremely different models of glass formers in two and three dimensions we demonstrate how to encode the subtle changes in the geometric rearrangement of particles during the scenario of the glass transition. We construct a statistical mechanical description that is able to explain and predict the geometric rearrangement, the temperature-dependent thermodynamic functions and the α-relaxation time within the measured temperature range and beyond. The theory is based on an up-scaling to proper variables (quasi-species) which is validated using a simple criterion. Once constructed, the theory provides an accurate predictive tool for quantities like the specific heat or the entropy at temperatures that cannot be reached by measurements. In addition, the theory identifies a rapidly increasing typical length scale ξ as the temperature decreases. This growing spatial length scale determines the α-relaxation time as τ α ∼exp(μξ/ T ), where μ is a typical chemical potential per unit length.

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