A first-principle computation of the thermodynamics of glasses

Citation
M. Mezard et G. Parisi, A first-principle computation of the thermodynamics of glasses, J CHEM PHYS, 111(3), 1999, pp. 1076-1095
Citations number
73
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
111
Issue
3
Year of publication
1999
Pages
1076 - 1095
Database
ISI
SICI code
0021-9606(19990715)111:3<1076:AFCOTT>2.0.ZU;2-M
Abstract
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 intera cting molecules, each molecule being built of m atoms, and having a gyratio n radius (related to the cage size) which vanishes at zero temperature. We use a small cage expansion, valid at low temperatures, which allows to comp ute the cage size, the specific heat (which follows the Dulong and Petit la w), and the configurational entropy. (C) 1999 American Institute of Physics . [S0021-9606(99)50326-7].