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Predictive statistical mechanics for glass forming systems

Laurent Boué, Edan Lerner, Itamar Procaccia and Jacques Zylberg

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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 τα~exp(μξ/T), where μ is a typical chemical potential per unit length.


Keywords

slow relaxation and glassy dynamics

disordered systems (theory)

supercooled liquids, glasses and gels

 

E-print Number: 0905.3962

Cited: by |

Refers: to

PACS

64.70.P- Glass transitions of specific systems

61.43.Bn Structural modeling: serial-addition models, computer simulation

82.60.Fa Heat capacities and heats of phase transitions

64.60.Cn Order–disorder transformations

MSC

80A22 Stefan problems, phase changes, etc. (See also 74Nxx)

82C26 Dynamic and nonequilibrium phase transitions (general)

82C35 Irreversible thermodynamics, including Onsager-Machlup theory

82D30 Random media, disordered materials (including liquid crystals and spin glasses)

Subjects

Condensed matter: structural, mechanical & thermal

Chemical physics and physical chemistry

Dates

Issue 11 (November 2009)

Received 19 July 2009, accepted for publication 1 November 2009

Published 20 November 2009



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