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Computer Simulation of the Migration Of Self-Interstitial Atoms in Alpha-Zirconium

Published online by Cambridge University Press:  15 February 2011

B. J. Whiting  and
D. J. Bacon
B. J. Whiting
Affiliation:
Department of Materials Science and Engineering, The University of Liverpool, Liverpool L69 3BX, U.K.
D. J. Bacon
Affiliation:
Department of Materials Science and Engineering, The University of Liverpool, Liverpool L69 3BX, U.K.
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Abstract

The migration of single interstitials and small interstitial clusters in ox-zirconium at different temperatures has been analysed using a molecular dynamics model with a many-body interatomic potential. The migration exhibits a strong anisotropy. The defects are very mobile (with Em = 0. 01 eV) along <1120> directions in the basal plane, and this motion is dominant for the single interstitial at low temperature and the di- and tri-interstitials at all temperatures. Above about 500 K, the single interstitial exhibits 2-D and 3-D motion, but Em for non-basal motion is about 0.133 eV. These results point to important consequences for the behaviour of defects formed by displacement cascades in irradiated zirconium.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 439: Symposium B – Microstructure Evolution During Irradiation , 1996 , 389
Copyright
Copyright © Materials Research Society 1997

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