A first principle computation of the thermodynamics of glasses

Details A first principle computation of the thermodynamics of glasses A first principle computation of the thermodynamics of glasses

1998-12-10

arxiv.org/abs/cond-mat/9812180v2

Physics

Condensed Matter

Latex, 40 pages, 9 figures, corrected misprints, improved presentation

Scientific paper

10.1063/1.479193

We propose a first principle computation of the equilibrium thermodynamics of simple fragile glasses starting from the two body interatomic potential. A replica formulation translates this problem into that of a gas of interacting molecules, each molecule being built of m atoms, and having a gyration radius (related to the cage size) which vanishes at zero temperature. We use a small cage expansion, valid at low temperatures, which allows to compute the cage size, the specific heat (which follows the Dulong and Petit law), and the configurational entropy.

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