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Mobility of Self-Interstitial Clusters in FE and CU

Published online by Cambridge University Press:  10 February 2011

Yu.N. Osetsky ,
A. Serra  and
V. Priego
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. Matemàtica Aplicada III, U. Politènica de Catalunya, Jordi Girona 1-3 (C-2), E-08034 Barcelona, Spain.
V. Priego
Affiliation:
Dept. Matemàtica Aplicada III, U. Politènica de Catalunya, Jordi Girona 1-3 (C-2), E-08034 Barcelona, Spain.
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Abstract

Molecular dynamics (MD) simulation has been used to study the thermally activated mobility of clusters of self-interstitial atoms (SIAs) in Fe and Cu. Such clusters are formed in metals during irradiation with energetical particles and, according to the cascade production bias model, they play an important role in the microstructure evolution of metals under irradiation. An extensive simulation of clusters from 2 to 30 interstitials has been carried out for the temperature range ≍360-1200K using long-range interatomic pair potentials. The results show that clusters bigger than two SIAs are one-dimensionally mobile. Di-interstitials have two migration mechanisms depending on the temperature. At low temperature the mechanism is one-dimensional whereas at high temperature the probability of rotation and three-dimensional migration increases. It was found that in both metals the effective migration energy of clusters estimated via their jump frequency does not depend on the cluster size, although the cluster jump frequency decreases as the cluster size increases. The mechanism of cluster migration and problems of the treatment of one-dimensional mobility are discussed.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 527: Symposium Z – Diffusion Mechanisms in Crystalline Materials , 1998 , 59
Copyright
Copyright © Materials Research Society 1998

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References

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