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Defect diffusion in hcp Zirconium: A kinetic Monte Carlo approach

Published online by Cambridge University Press:  01 February 2011

C. Arévalo ,
M.J. Caturla  and
J.M. Perlado
C. Arévalo
Affiliation:
Instituto de Fusión Nuclear, Universidad Politécnica, Madrid, Spain
M.J. Caturla
Affiliation:
Universidad de Alicante, Dep. Fisica Aplicada, Alicante, Spain Lawrence Livermore National Laboratory, Livermore CA, USA
J.M. Perlado
Affiliation:
Instituto de Fusión Nuclear, Universidad Politécnica, Madrid, Spain
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Abstract

We have studied diffusion of defects produced during irradiation in hcp zirconium through a kinetic Monte Carlo model. The input data for these simulations is based on molecular dynamics calculations and from experiments whenever available. The initial cascade damage produced by recoils of 25 keV energy from molecular dynamics simulations has been followed for times of hours at a fixed temperature of 600K. We have calculated the number of freely migrating defects, the recombination ratio between vacancies and interstitials, the defects surviving in the bulk as well as the average cluster size for these remaining defects.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 792: Symposium R – Radiation Effects and Ion Beam Processing of Materials , 2003 , R1.8
Copyright
Copyright © Materials Research Society 2004

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References

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