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Md Investigation of Thermal Spike Effects on Defect Production and Disordering by Displacement Cascades in Nl3AL

Published online by Cambridge University Press:  15 February 2011

F. Gao  and
D. J. Bacon
F. Gao
Affiliation:
Materials Science and Engineering, Department of Engineering, The University of Liverpool, Liverpool L69 3GH, U.K.
D. J. Bacon
Affiliation:
Materials Science and Engineering, Department of Engineering, The University of Liverpool, Liverpool L69 3GH, U.K.
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Abstract

Molecular dynamics (MD) simulations are used to obtain detailed information on defect production and disordering produced in the primary cascade state of radiation damage in Ni3AI as a function of irradiation temperature, Tirr Although the number of Frenkel pairs decreases with increasing Tirr, the size of interstitial clusters and the interstitial clustering fraction increase with Tirr. The number of antisites defects per cascade increases by about 20% as Tir increases from 100 to 600K, and then by about 90% from 600 to 900K due to the increase in the intensity and lifetime of the thermal spike. The average size of disordered zones at different Tir, is compared with experimental transmission electron microscopy data and the results are in reasonable agreement. The long-range order parameter in the cascade region is found to be consistent with values obtained experimentally on Ni3A1 irradiated by ions to a similar dose. The chemical short-range order parameter is about 0.6 over the whole range of Tirr, considered, suggesting that the cascade core retains some short-range order at high temperature due to local reordering.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 540: Symposium N / Microstructural Processes in Irradiated Materials , 1998 , 661
Copyright
Copyright © Materials Research Society 1999

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