The behaviour of single atoms in Mo in urania
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.
Bibliographic Reference: Article: Journal of Nuclear Materials
Record Number: 199611161 / Last updated on: 1996-10-28
Original language: en
Available languages: en