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자연과학대학
물리학전공
Journal papers
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Effect of Fe segregation on the migration of a non-symmetric ∑5 tilt grain boundary in Al
Title
Effect of Fe segregation on the migration of a non-symmetric ∑5 tilt grain boundary in Al
Authors
Mendelev M.I.
;
Srolovitz D.J.
;
Ackland G.J.
;
Han S.
Ewha Authors
한승우
SCOPUS Author ID
한승우
Issue Date
2005
Journal Title
Journal of Materials Research
ISSN
0884-2914
Citation
Journal of Materials Research vol. 20, no. 1, pp. 208 - 218
Indexed
SCI; SCIE; SCOPUS
Document Type
Article
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. © 2005 Materials Research Society.
DOI
10.1557/JMR.2005.0024
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