Diffusion kinetics for divacancies in the bcc lattice

Title: Diffusion kinetics for divacancies in the bcc lattice
Creator: Belova, I. V.; Gentle, D. S.; Murch, G. E.
Relation: Philosophical Magazine Letters Vol. 82, Issue 1, p. 37-41
Publisher Link: http://dx.doi.org/10.1080/09500830110100633
Publisher: Taylor & Francis
Resource Type: journal article
Date: 2002
Description: In this letter we employ high-precision Monte Carlo simulations to investigate tracer diffusion kinetics for diffusion via divacancies in the bcc lattice. We utilize the mechanisms originally identified by Mehrer in which the divacancy can move by nearest-neighbour jumps with stable first-nearest-neighbour, second-nearest-neighbour and fourth-nearest-neighbour configurations of the divacancy. The tracer correlation factor and the 'impurity-form' correlation factor were found to be some 4-6% lower than those found by the matrix method. The tracer diffusion data and isotope effect for sodium were revisited in terms of monovacancy and divacancy contributions. The main change is a revision upwards from 0.55 to 0.61 of the ΔK kinetic factor for divacancies.
Subject: diffusion kinetics; Monte Carlo; bcc lattice; divacancy
Identifier: http://hdl.handle.net/1959.13/34020
Identifier: uon:3477
Identifier: ISSN:0950-0839
Language: eng
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