Mobility of interstitial clusters in alpha-zirconium |
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Authors: | N de Diego Y N Osetsky D J Bacon |
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Affiliation: | (1) the Department of Physics of Materials, Faculty of Physical Sciences, Complutense University, 28040 Madrid, Spain;(2) the Materials Science and Engineering, Department of Engineering, The University of Liverpool, L69 3GH Liverpool, United Kingdom |
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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 article, we present the results of a similar study in a hexagonal close-packed (hcp) crystal.
Static and dynamic properties of clusters of up to 30 SIAs were studied using a many-body Finnis-Sinclair type interatomic
potential for Zr. The results show a qualitative similarity of some properties of clusters to those for cubic metals. In particular,
all clusters larger than four SIAs exhibit fast thermally activated one-dimensional (1-D) glide, which is in a 〈11
0〉 direction in the hcp lattice. Due to the structure of the hcp lattice, this mechanism leads to two-dimensional mass transport
in basal planes. Some clusters exhibit behavior peculiar to the hcp structure, for they can migrate two-dimensionally (2-D)
in the basal plane. The jump frequency, activation energy, and correlation factors of clusters have been estimated, and comparisons
drawn between the behavior of SIA clusters in different structures.
This article is based on a presentation made in the symposium entitled “Defect Properties and Mechanical Behavior of HCP Metals
and Alloys” at the TMS Annual Meeting, February 11–15, 2001, in New Orleans, Louisiana, under the auspices of the following
ASM committees: Materials Science Critical Technology Sector, Structural Materials Division, Electronic, Magnetic & Photonic
Materials Division, Chemistry & Physics of Materials Committee, Joint Nuclear Materials Committee, and Titanium Committee. |
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