Thermodynamics of binary mixture glasses

Citation
B. Coluzzi et al., Thermodynamics of binary mixture glasses, J CHEM PHYS, 111(19), 1999, pp. 9039-9052
Citations number
40
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
111
Issue
19
Year of publication
1999
Pages
9039 - 9052
Database
ISI
SICI code
0021-9606(19991115)111:19<9039:TOBMG>2.0.ZU;2-V
Abstract
We compute the thermodynamic properties of the glass phase in a binary mixt ure of soft spheres. Our approach is a generalization to mixtures of the re plica strategy, recently proposed by Mezard and Parisi, providing a first p rinciple statistical mechanics computation of the thermodynamics of glasses . The method starts from the interatomic potentials, and translates the pro blem into the study of a molecular liquid. We compare our analytical predic tions to numerical simulations, focusing onto the values of the thermodynam ic transition temperature and the configurational entropy. (C) 1999 America n Institute of Physics. [S0021- 9606(99)51443-8].