Studies1

Graduate

Studies1

Study of Physicochemical and Engineering Properties of Materials Related to the Nuclear Fuel Cycle: Fuels, Waste Glass and Clay Minerals

To establish advanced nuclear fuel cycles, innovative nuclear fuels based on zirconia doped with Pu and minor actinides have been developed because of the advantages they provide for nuclear nonproliferation purposes. The physicochemical properties of commercial nuclear fuels (i.e., UO2 and MOX,) are also studied in terms of performance and safety by using theoretical (ab initio calculation, classical MD simulation and CALPHAD) and experimental approaches.

A multi-barrier system for geological disposal of HLW in Japan consists of HLW glass, an overpack of carbon steel, the buffer material of bentonite, concrete materials and geological formations. To evaluate the long-term performance of this disposal system, the migration behavior of radionuclides in these barrier materials is one important factor that needs to be understood. We are developing a greater understanding of glass dissolution/alteration and radionuclide migration in the buffer material of bentonite based on the fundamental principles of material science, geochemistry, and radiochemistry for reliable modeling.

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(a) DOS of UO2 and charge density on a (1-10) plane of a primitive cell, calculated by VASP. (b) Liquid-solid coexistence supercell of UO2 (gray indicates uranium; red indicates oxygen), calculated using a classical molecular dynamics simulation (e.g. MXDORTOP).

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(a) HOMO and (b) LUMO of a Th(H2O)8 hydrated complex, where light-blue indicates thorium, red indicates oxygen, and white indicates hydrogen. These molecular orbitals were calculated using Gaussian09.


Nuclear Fuel Cycle Engineering Laboratory,
Department of Applied Quantum Physics and Nuclear Engineering, Faculty of Engineering, Kyushu University
Professor Kazuya Idemitsu
Associate Professor Yaohiro Inagaki
Assistant Professor Tatsumi Arima
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