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

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Australian Institute of Physics
The 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.
Actinide compounds, Chalcogenides, Elements, Energy sources, Fuels, Materials, Metals, Nuclear fuels, Oxides, Oxygen compounds, Physical properties, Plutonium compounds, Reactor materials, Solid fuels, Thermodynamic properties, Transition elements, Transuranium compounds, Uranium compounds, Uranium oxides
Qin, 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: