Partition of soluble fission products between the grey phase, ZrO2 and uranium dioxide

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dc.contributor.authorCooper, MWDen_AU
dc.contributor.authorMiddleburgh, SCen_AU
dc.contributor.authorGrimes, RWen_AU
dc.date.accessioned2015-09-29T01:10:16Zen_AU
dc.date.available2015-09-29T01:10:16Zen_AU
dc.date.issued2013-07-01en_AU
dc.date.statistics2015-09-18en_AU
dc.description.abstractThe energies to remove fission products from UO2 or UO2+x and incorporate them into BaZrO3, SrZrO3 (grey phase constituent phases) and ZrO2 have been calculated using atomistic scale simulation. These energies provide the thermodynamic drive for partition of soluble fission products between UO2 or UO2+x and these secondary oxide constituents of the fuel system. Tetravalent cation partition into BaZrO3, SrZrO3 and ZrO2 was only preferable for species with smaller radii than Zr4+, regardless of uranium dioxide stoichiometry. Under stoichiometric conditions both the larger and the smaller trivalent cations were found to segregate to BaZrO3 but only the smaller fuel additive elements Cr3+ and Fe3+ segregate to SrZrO3. Partition from UO2+x was always unfavourable for trivalent cations. Additions of excess Cr3+ (as a fuel additive) are predicted make the partition into BaZrO3 and SrZrO3 more favourable from UO2 for the larger trivalent cations. Trivalent fission products with radii smaller than or equal to that of Sm3+ were identified to segregate into ZrO2 only from UO2. No segregation to SrO or BaO is predicted. © 2013, Elsevier B.V.en_AU
dc.identifier.citationCooper, M. W. D., Middleburgh, S. C., & Grimes, R. W. (2013). Partition of soluble fission products between the grey phase, ZrO2 and uranium dioxide. Journal of Nuclear Materials, 438(1-3), 238-245. doi:10.1016/j.jnucmat.2013.02.082en_AU
dc.identifier.govdoc6085en_AU
dc.identifier.issn0022-3115en_AU
dc.identifier.issue1-3en_AU
dc.identifier.journaltitleJournal of Nuclear Materialsen_AU
dc.identifier.pagination238-245en_AU
dc.identifier.urihttp://dx.doi.org/10.1016/j.jnucmat.2013.02.082en_AU
dc.identifier.urihttp://apo.ansto.gov.au/dspace/handle/10238/6238en_AU
dc.identifier.volume438en_AU
dc.language.isoenen_AU
dc.publisherElsevieren_AU
dc.subjectFission productsen_AU
dc.subjectUranium dioxideen_AU
dc.subjectOxidesen_AU
dc.subjectPerovskiteen_AU
dc.subjectStoichiometryen_AU
dc.subjectFuelsen_AU
dc.titlePartition of soluble fission products between the grey phase, ZrO2 and uranium dioxideen_AU
dc.typeJournal Articleen_AU
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