Thermodynamics of glasses: a first principles computation
- 1 January 1999
- journal article
- Published by IOP Publishing in Journal of Physics: Condensed Matter
- Vol. 11 (10A) , A157-A165
- https://doi.org/10.1088/0953-8984/11/10a/011
Abstract
We propose a first principles computation of the 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 build 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-Petit law) and the configurational entropy.Keywords
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