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Kinetic Monte Carlo Annealing Simulation of Damage Produced by Cascades in Alpha-Iron

Published online by Cambridge University Press:  15 February 2011

F. Gao ,
D. J. Bacon ,
A. V. Barashev  and
H. L. Heinisch
F. Gao
Affiliation:
Materials Science and Engineering, Department of Engineering, The University of Liverpool, Liverpool L69 3GH, UK
D. J. Bacon
Affiliation:
Materials Science and Engineering, Department of Engineering, The University of Liverpool, Liverpool L69 3GH, UK
A. V. Barashev
Affiliation:
Materials Science and Engineering, Department of Engineering, The University of Liverpool, Liverpool L69 3GH, UK
H. L. Heinisch
Affiliation:
Pacific Northwest National Laboratory, Richland, Washington 99352, U.S.A
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Abstract

The mobile defects created in displacement cascades can either interact within the cascade region or undergo long-range diffusion in the crystal. The kinetic Monte Carlo code ALSOME has been used in the present work to carry out annealing simulations of electron irradiation and single cascades with energy in the range of 2 to 40 keV in α-Fe as a function of temperature. Isochronal annealing of electron irradiation shows a temperature-dependence of the recovery stages that is reasonably close to experiment, but Stage I is controlled by the rotation energy of the <110> dumbbell to the <111> crowdion. The annealing of single cascades has demonstrated that nearly 60% of SIAs formed in the primary state of cascade damage escape from the cascade at temperatures above stage I. Most of the escaping SlAs are in clusters, for only 10% of them are mono-interstitials. Although the number of escaping defects increases with increasing cascade energy, the relative fraction is almost constant for the recoil energies considered. The results are compared with those for copper obtained using the same code [1].

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 540: Symposium N / Microstructural Processes in Irradiated Materials , 1998 , 703
Copyright
Copyright © Materials Research Society 1999

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