Artikel,

Thermodynamics of Glasses: A First Principles Computation

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Physical Review Letters, 82 (4): 747--750 (25.01.1999)
DOI: 10.1103/physrevlett.82.747

Zusammenfassung

We propose a first principles 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 us to compute the cage size, the specific heat (which follows the Dulong and Petit law), and the configurational entropy.

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