Comparing models for diffusion in supercooled liquids: The eutectic composition of the Ag-Cu alloy

Citation
Cf. Vardeman et Jd. Gezelter, Comparing models for diffusion in supercooled liquids: The eutectic composition of the Ag-Cu alloy, J PHYS CH A, 105(12), 2001, pp. 2568-2574
Citations number
44
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF PHYSICAL CHEMISTRY A
ISSN journal
10895639 → ACNP
Volume
105
Issue
12
Year of publication
2001
Pages
2568 - 2574
Database
ISI
SICI code
1089-5639(20010329)105:12<2568:CMFDIS>2.0.ZU;2-0
Abstract
We present a comparison between the Continuous Time Random Walk (CTRW) mode l for dispersive transport and Zwanzig's model of self-diffusion in liquids using the cage correlation function as a means for obtaining the character istic hopping times. This comparison was done using a realistic model for t he interactions between metal atoms in a system that is known to form metal lic glasses; We find that although the CTRW model uses a pathological model for the distribution of waiting times, the predictions of this theory are much closer to the actual diffusion constants than those obtained via Zwanz ig's model. We also find that there is a simple linear relationship between the stretching parameter (beta) for Kohlrausch-Williams-Watts decay of the cage correlation function and the dispersion parameter (gamma) that charac terizes the "fractal" distribution of waiting times in the CTRW model.