Molecular dynamics simulations of thermal conductivity of UO2, PuCrO3 and PuAlO3

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dc.contributor.authorQin, MJen_AU
dc.contributor.authorKuo, EYen_AU
dc.contributor.authorRobinson, Men_AU
dc.contributor.authorMarks, NAen_AU
dc.contributor.authorLumpkin, GRen_AU
dc.contributor.authorMiddleburgh, SCen_AU
dc.date.accessioned2022-08-25T02:32:03Zen_AU
dc.date.available2022-08-25T02:32:03Zen_AU
dc.date.issued2014-02-04en_AU
dc.date.statistics2021-09-15en_AU
dc.description.abstractThe thermal conductivities of the PuCrO3 and PuAlO3 precipitates in UO2 fuel have been calculated using non-equilibrium molecular dynamics simulations. The PuCrO3 phase showed a markedly lower thermal conductivity than UO2, which will impact the microstructure, fission product distribution and gas release properties of UO2-based fuels. The PuAlO3, in both its orthorhombic and rhombohedral structures, showed greater thermal conductivity in comparison to PuCrO3, lower than UO2 at low temperatures but higher at elevated temperatures. Additions of Al with Cr to doped fuels is therefore likely to have a beneficial impact on the thermal conductivity of the fuel as opposed to solely doping with Cr.en_AU
dc.identifier.citationQin, M. J., Kuo, E. Y., Robinson, M., Marks, N. A., Lumpkin, G. R., & Middleburgh, S. C. (2014). Molecular dynamics simulations of thermal conductivity of UO2, PuCrO3 and PuAlO3. Poster presented to the 38th Annual Condensed Matter and Materials Meeting 2014, Waiheke Island Resort, Waiheke, Auckland, New Zealand 4th February - 7th February, 2014. Retrieved from: https://physics.org.au/wp-content/uploads/cmm/2014/Wagga2014proceedings.pdfen_AU
dc.identifier.conferenceenddate7 February 2014en_AU
dc.identifier.conferencename38th Annual Condensed Matter and Materials Meeting 2014en_AU
dc.identifier.conferenceplaceAuckland, New Zealanden_AU
dc.identifier.conferencestartdate4 February 2014en_AU
dc.identifier.isbn978-0-646-93339-9en_AU
dc.identifier.urihttps://physics.org.au/wp-content/uploads/cmm/2014/Wagga2014proceedings.pdfen_AU
dc.identifier.urihttps://apo.ansto.gov.au/dspace/handle/10238/13608en_AU
dc.language.isoenen_AU
dc.publisherAustralian Institute of Physicsen_AU
dc.subjectActinide compoundsen_AU
dc.subjectChalcogenidesen_AU
dc.subjectElementsen_AU
dc.subjectEnergy sourcesen_AU
dc.subjectFuelsen_AU
dc.subjectMaterialsen_AU
dc.subjectMetalsen_AU
dc.subjectNuclear fuelsen_AU
dc.subjectOxidesen_AU
dc.subjectOxygen compoundsen_AU
dc.subjectPhysical propertiesen_AU
dc.subjectPlutonium compoundsen_AU
dc.subjectReactor materialsen_AU
dc.subjectSolid fuelsen_AU
dc.subjectThermodynamic propertiesen_AU
dc.subjectTransition elementsen_AU
dc.subjectTransuranium compoundsen_AU
dc.subjectUranium compoundsen_AU
dc.subjectUranium oxidesen_AU
dc.titleMolecular dynamics simulations of thermal conductivity of UO2, PuCrO3 and PuAlO3en_AU
dc.typeConference Posteren_AU
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