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Diffusion in the Presence of Grain Boundaries: a Variable Length Scale Simulation Method

Published online by Cambridge University Press:  21 March 2011

Irina V Belova  and
Graeme E Murch
Irina V Belova
Affiliation:
Diffusion in Solids Group, Dept.Mechanical Engineering The University of Newcastle, Callaghan, NSW 2308, AUSTRALIA
Graeme E Murch
Affiliation:
Diffusion in Solids Group, Dept.Mechanical Engineering The University of Newcastle, Callaghan, NSW 2308, AUSTRALIA
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Abstract

In this paper we introduce a Monte Carlo method for numerical analysis of the problem of tracer diffusion in the presence of isolated grain boundaries with a variable mesh in the direction perpendicular to the grain boundary plane. A number of isoconcentration contour profiles were studied. Two different expressions for the angle between the isoconcentration contours and the grain boundary were derived for the instantaneous tracer source following procedures analogous to Fisher's and Whipple's approximations for the constant tracer source. Comparison with the numerical data was made. Both these approximations overestimate the grain boundary diffusivity.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 677: Symposium AA – Advances in Materials Theory and Modeling–Bridging Over Multiple-Length and Time Scales , 2001 , AA7
Copyright
Copyright © Materials Research Society 2001

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References

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