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Mobility of Self-Interstitials in FCC and BCC Metals

Published online by Cambridge University Press:  10 February 2011

Yu.N. Osetsky ,
A. Serra ,
V. Priego ,
F. Gao  and
D.J. Bacon
Yu.N. Osetsky
Affiliation:
Materials Science and Engineering, Department of Engineering, The University of Liverpool, Liverpool L69 3BX, UK, ([email protected]). Russian Research Centre “Kurchatov Institute”, Kurchatov sq. 1, 123182 Moscow, Russia.
A. Serra
Affiliation:
Dept. Mat. Aplicada III, Universitat Politecnica de Catalunya, Jordi Girona 1-3, E-08034 Barcelona, Spain.
V. Priego
Affiliation:
Dept. Mat. Aplicada III, Universitat Politecnica de Catalunya, Jordi Girona 1-3, E-08034 Barcelona, Spain.
F. Gao
Affiliation:
Materials Science and Engineering, Department of Engineering, The University of Liverpool, Liverpool L69 3BX, UK
D.J. Bacon
Affiliation:
Materials Science and Engineering, Department of Engineering, The University of Liverpool, Liverpool L69 3BX, UK
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Abstract

Diffusion of self-interstitial atoms (SIAs) has been studied in bcc-Fe and fcc-Cu using molecular dynamics and interatomic potentials of different types. The Fe potentials describe SIA configurations of different stability. The temperature dependence of the SIA diffusion mechanisms is qualitatively similar for both potentials. At high temperature the diffusion is three-dimensional via the <110> dumbbell mechanism. The contribution of one-dimensional mechanism via the <111> crowdion increases when temperature decreases. At low temperature (<300K) the diffusion mechanism depends on the stable configuration of the SIA.

In fcc-Cu all the potentials reproduce the same stable configuration, namely the <100> dumbbell. The migration mechanism is mainly a three-dimensional random walk via this dumbbell with small contributions from the <110> crowdion at high temperature and a two-dimensional caging mechanism at low temperature.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 527: Symposium Z – Diffusion Mechanisms in Crystalline Materials , 1998 , 49
Copyright
Copyright © Materials Research Society 1998

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References

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