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Molecular Dynamics Simulations of High Energy Cascades in Iron

Published online by Cambridge University Press:  16 February 2011

Roger E. Stoller
Roger E. Stoller*
Affiliation:
Metals and Ceramics Division, Oak Ridge National Laboratory, P.O. Box 2008, Oak Ridge, TN 37831-6376, USA
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Abstract

A series of high-energy, up to 20 keV, displacement cascades in iron have been investigated for times up to 200 ps at 100 K using the method of molecular dynamics simulation. Thesimulations were carried out using the MOLDY code and a modified version of the many-bodyinteratomic potential developed by Finnis and Sinclair. The paper focuses on those results obtained at the highest energies, 10 and 20 keV. The results indicate that the fraction of the Frenkel pairs surviving in-cascade recombination remains fairly high in iron and that the fraction of the surviving point defects that cluster is lower than in materials such as copper. In particular, vacancy clustering appears to be inhibited in iron. Some of the interstitial clusters were observed to exhibit an unexpectedly complex, three-dimensional morphology. The observations are discussed in terms of their relevance to microstructural evolution and mechanical property changes in irradiated iron-based alloys.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 373: Symposium Y – Microstructure of Irradiated Materials , 1994 , 21
Copyright
Copyright © Materials Research Society 1995

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References

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