Vacancy-Wind Factors and Collective Correlation Factors in Nonstoichiometric B2 Intermetallic Compounds |
| Journal |
Defect and Diffusion Forum (Volumes 251 - 252) |
| Volume |
Defects and Diffusion Ceramics Abstracts |
| Edited by |
David J. Fisher |
| Pages |
69-78 |
| DOI |
10.4028/www.scientific.net/DDF.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 |
| Abstract |
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. |
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