Paper Title:

Vacancy-Wind Factors and Collective Correlation Factors in Nonstoichiometric B2 Intermetallic Compounds

Periodical Defect and Diffusion Forum (Volumes 251 - 252)
Main Theme Defects and Diffusion Ceramics Abstracts
Edited by David J. Fisher
Pages 69-78
DOI 10.4028/
Citation K.L. Gosain et al., 2006, Defect and Diffusion Forum, 251-252, 69
Online since March 2006
Authors K.L. Gosain, D.K. Chaturvedi, Irina V. Belova, Graeme E. Murch
Keywords Chemical Diffusion, Correlation Factors, Intermetallic, Ordered Alloys, Six-Jump-Cycle, Tracer Diffusion, Vacancy Wind
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The six-jump-cycle (6JC) diffusion mechanism is used to analyze the behavior of vacancy-wind factors and collective correlation factors in partially ordered B2 intermetallic compounds at stoichiometric and near- stoichiometric compositions. Expressions for the vacancywind factors are obtained in the framework of the four-frequency model where the two sublattices exist a priori. The phenomenological coefficients on the two sublattices that remain hitherto independent in 6JC mechanism are connected through a microscopic detailed balance condition. The present results for collective correlation factors when compared with our earlier calculation based on taking the harmonic mean of the sublattice correlation factors show much better agreement with Monte Carlo simulation results. The collective correlation factors and tracer correlation factors are used to calculate the vacancy-wind factors. Our results for vacancy-wind factors agree qualitatively with the simulation data when the frequency ratio ( α ) of structural and antistructural atoms jumps decreases up to the order of unity.