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Effect of Fe Segregation on the Migration of a Non-Symmetric Σ5 Tilt Grain Boundary in Al

Published online by Cambridge University Press:  03 March 2011

M.I. Mendelev ,
D.J. Srolovitz ,
G.J. Ackland  and
S. Han
M.I. Mendelev
Affiliation:
Princeton Materials Institute & Department of Mechanical & AerospaceEngineering, Princeton University, Princeton, New Jersey 08544
D.J. Srolovitz
Affiliation:
Princeton Materials Institute & Department of Mechanical & AerospaceEngineering, Princeton University, Princeton, New Jersey 08544
G.J. Ackland
Affiliation:
Department of Physics and Astronomy, University of Edinburgh,Edinburgh EH9 3JZ, Scotland, United Kingdom
S. Han
Affiliation:
Department of Physics, Ewha Womans University, Seoul 120-750, Korea
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Abstract

We present an analysis, based upon atomistic simulation data, of the effect of Fe impurities on grain boundary migration in Al. The first step is the development of a new interatomic potential for Fe in Al. This potential provides an accurate description of Al–Fe liquid diffraction data and the bulk diffusivity of Fe in Al. We use this potential to determine the physical parameters in the Cahn–Lücke–Stüwe (CLS) model for the effect of impurities on grain boundary mobility. These include the heat of segregation of Fe to grain boundaries in Al and the diffusivity of Fe in Al. Using the simulation-parameterized CLS model, we predict the grain boundary mobility in Al in the presence of Fe as a function of temperature and Fe concentration. The order of magnitude and the trends in the mobility from the simulations are in agreement with existing experimental results.

Keywords

DiffusionGrain boundariesX-ray diffraction (XRD)
Type
Articles
Information
Journal of Materials Research , Volume 20 , Issue 1 , January 2005 , pp. 208 - 218
Copyright
Copyright © Materials Research Society 2004

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References

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