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Defect Structure and Stability in Uranium and Zirconium Nitrides

Published online by Cambridge University Press:  01 February 2011

Robin william Grimes
Robin william Grimes*
Affiliation:
r.grimes@ic.ac.uk, imperial collage london, materials, exhibition road, london, N/A, United Kingdom
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Abstract

Atomic scale computer simulation based on a density functional approach was used to predict the behaviour of uranium, zirconiumand titanium nitrides. In addition to perfect lattice structures, defects associated with nonstoichiometry were also considered. Predictions were favourably compared with experimental data.

Keywords

nitrideceramicdefects
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1043: Symposium T – Materials Innovations for Next-Generation Nuclear Energy , 2007 , 1043-T06-02-E06-02
Copyright
Copyright © Materials Research Society 2008

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