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Mobility of Interstitial Clusters in HCP Zirconium

Published online by Cambridge University Press:  21 March 2011

Nieves de Diego ,
Yuri N. Osetsky  and
David J. Bacon
Nieves de Diego
Affiliation:
Dpto. de Física de Materiales, Facultad de Ciencias Físicas, Universidad Complutense, Ciudad Universitaria, 28040 Madrid, Spain
Yuri N. Osetsky*
Affiliation:
Materials Science and Engineering, Department of Engineering, The University of Liverpool, Liverpool L69 3GH, UK
David J. Bacon
Affiliation:
Materials Science and Engineering, Department of Engineering, The University of Liverpool, Liverpool L69 3GH, UK
*
*Corresponding author, e-mail: [email protected]
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Abstract

Clusters of self-interstitial atoms (SIAs) formed in displacement cascades in metals irradiated with energetic particles play an important role in microstructure evolution under irradiation. They have been studied in the fcc and bcc metals by atomic scale computer simulation and in this paper we present the first results of a similar study of SIA clusters in an hcp crystal. Clusters of 4 to 30 SIAs were modelled over a wide temperature range using molecular dynamics and a many-body Finnis-Sinclair type interatomic potential for Zr. The results show a qualitative similarity of the dynamic properties of clusters to those for cubic metals. In particular, all clusters larger than 4 SIAs exhibit fast thermally-activated one-dimensional glide, which is in a <1120> direction in the hcp case. Due to the crystallographic features of the hcp lattice, this mechanism leads to two-dimensional mass transport in basal planes. Smaller clusters (≤ 4 SIAs) exhibit behaviour peculiar to the hcp structure, however, for they can migrate two-dimensionally in the basal plane. The jump frequency, activation energy and correlation factors of clusters have been estimated and comparison drawn between the behaviour of SIA clusters in different structures.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 650: Symposium R – Microstructural Processes in Irradiated Materials-2000 , 2000 , R3.30
Copyright
Copyright © Materials Research Society 2001

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References

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