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Abstract

Computer simulation techniques are used to investigate the behaviour of single atoms of Mo is calculated to be present as neutral atoms in bound Schottky trio sites. In UO(2+x), most of the Mo is calculated to be in isolated uranium vacancy sites with Mo ionization increasing with the O/U ration. The behaviour near stoichiometric composition is more complex and is found to be very sensitive to changes in O/U ratio. An approximation to the free energy change associated with Mo incorporation in urania is plotted as a function of O/U ratio and Mo concentration. Although this plot is found to be in agreement with the observed insoluble character of Mo in urania, at high O/U ratios and very low Mo concentrations, Mo is solution may be preferred over Mo in the gaseous state.

Additional information

Authors: NICOLL S, JRC Karlsruhe (DE);MATZKE H, JRC Karlsruhe (DE);GRIMES R W, Imperial College, Department of Materials, London (GB);CATLOW C R A, The Royal Institution of Great Britain, London (GB)
Bibliographic Reference: Article: Journal of Nuclear Materials
Record Number: 199611161 / Last updated on: 1996-10-28
Category: PUBLICATION
Original language: en
Available languages: en