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, ThO, UO, PuO, and (U, Pu)OKato, Masato; Watanabe, Masashi; Hirooka, Shun; Vauchy, R.
Frontiers in Nuclear Engineering (Internet), 1, p.1081473_1 - 1081473_10, 2023/01
based on experimental data and density functional theory calculation resultWatanabe, Masashi; Nakamura, Hiroki; Suzuki, Kiichi; Machida, Masahiko; Kato, Masato
Journal of the American Ceramic Society, 105(3), p.2248 - 2257, 2022/03
Times Cited Count：1 Percentile：6.56(Materials Science, Ceramics)Properties of CeO were evaluated by DFT simulation to determine band gap, Frenkel defect formation energy and defect migration energy. Band gap and Frenkel defect formation energy were used to analyze defect equilibria. Oxygen partial pressure dependence of defect equilibria was evaluated based on oxygen potential experimental data and DFT calculation, and a Brouwer diagram was derived. The defect formation energies, including Frenkel defect, electron-hole pair and so on, were determined and used to evaluate the properties, including oxygen diffusion coefficients, electrical conduction, heat capacity and thermal conductivity. Mechanisms of various properties were discussed for a deeper understanding based on defect chemistry, and the relationship among properties were systematically described.
Ryomoto, Yasuhisa*; Ito, Hitoshi*
Shokuhin Shosha, 36(1-2), p.8 - 12, 2001/09
no abstracts in English
Watanabe, Masashi; Matsumoto, Taku; Hirooka, Shun; Kato, Masato
no journal, ,
Oxygen potential, oxygen diffusion coefficient and vapor pressure of MOX fuel were evaluated based on defect chemistry using previous study data and updated JAEA's data. The relational equations to determine oxygen potential, oxygen diffusion coefficient and vapor pressure were derived as functions of O/M ratio, Pu content and temperature.
Hirooka, Shun; Kato, Masato; Watanabe, Masashi
no journal, ,
no abstracts in English
