Thermodynamics of supercooled liquids in the inherent structure formalism: a case study

Details Thermodynamics of supercooled liquids in the inherent structure formalism: a case study Thermodynamics of supercooled liquids in the inherent structure formalism: a case study

1999-11-04

arxiv.org/abs/cond-mat/9911062v1

Physics

Condensed Matter

Soft Condensed Matter

Proceedings Workshop Trieste ICTP September 1999 "Unifying Concepts in Glass Physics"

Scientific paper

10.1088/0953-8984/12/29/324

In this article we review the thermodynamics of liquids in the framework of the inherent structure formalism. We then present calculations of the distribution of the basins in the potential energy of a binary Lennard-Jones mixture as a function of temperature. The comparison between the numerical data and the theoretical formalism allows us to evaluate the degeneracy of the inherent structures in a bulk system and to estimate the energy of the lowest energy disordered state (the Kauzmann energy). We find that, around the mode-coupling temperature, the partition function of the liquid is approximated well by the product of two loosely coupled partition functions, one depending on the inherent structures quantities (depth of the basins and their degeneracy) and one describing the free energy of the liquid constrained in one typical basin.

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