Calculations of Solution Energies of Fission Products in Uranium Dioxide
- 1 October 1989
- journal article
- Published by Wiley in Journal of the American Ceramic Society
- Vol. 72 (10) , 1856-1860
- https://doi.org/10.1111/j.1151-2916.1989.tb05991.x
Abstract
Both lattice simulation and quantum‐mechanical techniques are applied to the study of the sites and solution energies of fission products in UO2. We consider noble gas atoms, alkali metal, alkaline‐earth, and halide species. It is shown that the charge state of the dissolved fission product may depend on the fuel stoichiometry. In particular, iodine may be stable as either I+ at U sites or I– at O sites in UO2+x, but should be present only as I– at O sites in UO2–x.Keywords
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