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Microscopic Diffusion Mechanism of Iron in FeAl Revisited by New Methods

Published online by Cambridge University Press:  10 February 2011

G. Vogl ,
B. Sepiol ,
C. Czihak ,
R. Rüffer ,
R. Weinkamer ,
P. Fratzl ,
M. Fähnle  and
B. Meyer
G. Vogl
Affiliation:
Institut für Materialphysik der Universität Wien, Strudlhofgasse 4, A-1090 Wien, Austria, [email protected]
B. Sepiol
Affiliation:
Institut für Materialphysik der Universität Wien, Strudlhofgasse 4, A-1090 Wien, Austria
C. Czihak
Affiliation:
also at Institut Laue-Langevin, F-38042 Grenoble, France
R. Rüffer
Affiliation:
European Synchrotron Radiation Facility, F-38043 Grenoble, France
R. Weinkamer
Affiliation:
Institut für Materialphysik der Universität Wien, Strudlhofgasse 4, A-1090 Wien, Austria
P. Fratzl
Affiliation:
now at Erich-Schmid-Institut der Österr. Akademie der Wissenschaften and Institut für Metallphysik, Montanuniversität Leoben, A-8700 Leoben, Austria
M. Fähnle
Affiliation:
now at Erich-Schmid-Institut der Österr. Akademie der Wissenschaften and Institut für Metallphysik, Montanuniversität Leoben, A-8700 Leoben, Austria
B. Meyer
Affiliation:
Max-Planck-Institut für Metallforschung, D-70569 Stuttgart, Germany
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Abstract

The elementary diffusion jump of Fe atoms in the ordered intermetallic alloy FeAl is studied in a coordinated effort of atomistic experimental techniques, Monte Carlo simulation and abinitio electron theory. The experiment demands that the elementary diffusion jump is a jump into an antistructure site on the Al sublattice which is occupied for a much shorter time than the sites on the Fe sublattice. The diffusion path can be followed by Monte Carlo simulations which can perfectly explain the experiments. Since ab-initio theory yields a very low concentration of Al vacancies it is suggested that correlated jumps of two atoms prevent the creation of a fully developed Al vacancy.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 527: Symposium Z – Diffusion Mechanisms in Crystalline Materials , 1998 , 197
Copyright
Copyright © Materials Research Society 1998

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References

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