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Computer Simulation of Displacement Cascades in α-Zirconium

Published online by Cambridge University Press:  15 February 2011

F. Gao ,
S. J. Wooding ,
D. J. Bacon ,
A. F. Calder  and
L. M. Howe
F. Gao
Affiliation:
Department of Materials Science and Engineering, The University of Liverpool Liverpool L69 3BX, U.K.
S. J. Wooding
Affiliation:
Now at: Unilever Research, Colworth House, Sharnbrook, Beds MK44 I LQ, UK.
D. J. Bacon
Affiliation:
Department of Materials Science and Engineering, The University of Liverpool Liverpool L69 3BX, U.K.
A. F. Calder
Affiliation:
Department of Materials Science and Engineering, The University of Liverpool Liverpool L69 3BX, U.K.
L. M. Howe
Affiliation:
AECL Chalk River Laboratories, Chalk River, Ontario, Canada KOJ IJO.
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Abstract

The damage produced in α-zirconium at 100 K by displacement cascades with energy up to 20 keV has been investigated by MD simulations. In agreement with modelling of fcc and bcc metals, the defect production efficiency in zirconium is well below the NRT estimate. The number and size of clusters, both vacancy and interstitial, are increased by increasing PKA energy, and clusters containing up to 25 interstitials and 30 vacancies were formed by 20 keV cascades. Most interstitial clusters have dislocation character with perfect Burgers vectors of the form 1/3<1120>, but a few metastable clusters are formed and are persistent over the timescale of MD simulations. Collapse of the 30-vacancy cluster to a faulted loop on the prism plane was found to occur over a period of more than 100 ps

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 439: Symposium B – Microstructure Evolution During Irradiation , 1996 , 395
Copyright
Copyright © Materials Research Society 1997

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