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The Structure, Role and Flexibility of Grain Boundaries

Published online by Cambridge University Press:  15 March 2011

M. Samaras ,
M. Victoria  and
W. Hoffelner
M. Samaras*
Affiliation:
Nuclear Energy and Safety, Paul Scherrer Institute, CH-5232 Villigen, Switzerland
M. Victoria
Affiliation:
Nuclear Energy and Safety, Paul Scherrer Institute, CH-5232 Villigen, Switzerland
W. Hoffelner
Affiliation:
Nuclear Energy and Safety, Paul Scherrer Institute, CH-5232 Villigen, Switzerland
*
Corresponding author: maria.samaras@psi.ch
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Abstract

The structure and role of grain boundaries is investigated using an atomic analysis of the grain boundary movement during Molecular Dynamics displacement cascade simulations of bcc Fe. The results show the grain boundary to be a flexible entity. Local restructuring of the GB accommodates the incoming self interstitial atoms with local kinks, or small movements of a few atomic spacings occurring when the grain boundary is engulfed in the displacement cascade. The damage created is investigated using two potentials: the Ackland (non-magnetic) and the Dudarev- Derlet (magnetic) to study the role and influence of magnetism on the results obtained.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1125: Symposium R – Materials for Future Fusion and Fission Technologies , 2008 , 1125-R07-38
Copyright
Copyright © Materials Research Society 2009

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References

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