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Journal Articles

Oxygen potential of (Th$$_{0.7}$$Ce$$_{0.3}$$)O$$_{2-x}$$

Osaka, Masahiko; Tanaka, Kosuke; Miwa, Shuhei; Kurosaki, Ken*; Uno, Masayoshi*; Yamanaka, Shinsuke*

Materials Research Society Symposium Proceedings, Vol.1215, p.199 - 203, 2010/10

Oxygen potentials of (Th$$_{0.7}$$Ce$$_{0.3}$$)O$$_{2-x}$$ were experimentally determined by means of thermogravimetric analysis as a function of non-stoichiometry at 1173 and 1273 K. Oxygen potentials of (Th$$_{0.7}$$Ce$$_{0.3}$$)O$$_{2-x}$$ at each temperature increased with increase of O/M ratio (= 2-x) and steep increases of the oxygen potentials toward O/M = 2 were observed. These characteristics are typical for non-stoichiometric fluorite-type actinides dioxides. The oxygen potentials of (Th$$_{0.7}$$Ce$$_{0.3}$$)O$$_{2-x}$$ were similar to those of CeOO$$_{2-x}$$ when they were plotted as a function of average Ce valence.

Journal Articles

Multiscale modeling of helium-vacancy cluster nucleation under irradiation; A Kinetic Monte-Carlo approach

Suzudo, Tomoaki; Yamaguchi, Masatake; Kaburaki, Hideo; Ebihara, Kenichi

Materials Research Society Symposium Proceedings, Vol.1215, 7 Pages, 2010/10

We applied ab initio calculation and an object kinetic Monte Carlo modeling to the study of He-vacancy cluster nucleation under irradiation in bcc and fcc Fe, which are surrogate materials for ferritic/martensitic and austenitic steels, respectively. The ab initio calculations provided parameters for the object kinetic Monte Carlo model, such as the migration energies of point defects and the dissociation energies of He and vacancy to He-vacancy clusters. We specially focused on the simulation of high He/dpa irradiation such as He-implantation into the materials and tracked the nucleation of clusters and the fate of point defects such as SIAs, vacancies, and He atoms. We found no major difference of He-vacancy cluster nucleation between bcc and fcc Fe when we ignore the intracascade clustering even if the migration energies of point defects are significantly different between the two crystals.

Journal Articles

Grain boundary characteristics evaluation by atomistic investigation methods

Kaji, Yoshiyuki; Tsuru, Tomohito; Shibutani, Yoji*

Materials Research Society Symposium Proceedings, Vol.1215, 6 Pages, 2010/10

In the present study three types of grain boundaries of coincidence site lattice (CSL), small angle (SA), and random types are considered as the representative example of grain boundaries. The grain boundary energies and atomic configurations of CSL are first evaluated by first-principle density functional theory (DFT) and the embedded atom method (EAM) calculations. SA and random grain boundaries are subsequently constructed by the same EAM and the fundamental characteristics are investigated by the discrete dislocation mechanics models and the Voronoi polyhedral computational geometric method. As the result, it is found that stress distributions of CSL and SA grain boundaries are localized around the grain boundary core. The random grain boundary shows extremely heterogeneous core structures including a lot of pentagon-shaped Voronoi polyhedral resulting from the amorphous-like structure.

Journal Articles

Effect of americium and simulated fission products addition on oxygen potential of uranium-plutonium mixed oxide fuels

Tanaka, Kosuke; Osaka, Masahiko; Kurosaki, Ken*; Muta, Hiroaki*; Uno, Masayoshi*; Yamanaka, Shinsuke*

Materials Research Society Symposium Proceedings, Vol.1215, p.95 - 100, 2010/10

In order to investigate the effect of MAs and FP addition on the oxygen potential of MOX fuels, thermogravimetric analysis (TGA) were carried out. MOX fuels with Am and 26 kinds of fission product elements (FPs), simulating low-decontamination MOX fuel and high burn-up to 250 GWd/t, were prepared by a conventional powder metallurgical route in a glove box. The oxygen potentials for simulating low-decontamination MOX fuels were higher than the fuels without FPs and increased positively with increasing simulated burn-up.

Journal Articles

Thermal conductivities of Cs-$$M$$-O ($$M$$ = Mo or U) ternary compounds

Tokushima, Kazuyuki*; Tanaka, Kosuke; Kurosaki, Ken*; Gima, Hiromichi*; Muta, Hiroaki*; Uno, Masayoshi*; Yamanaka, Shinsuke*

Materials Research Society Symposium Proceedings, Vol.1215, p.151 - 156, 2010/10

The thermal diffusivities of Cs$$_{2}$$MoO$$_{4}$$ and Cs$$_{2}$$UO$$_{4}$$ using samples fabricated by hot press and SPS techniques were measured by a laser flash method in the range from room temperature to 823 K for Cs$$_{2}$$MoO$$_{4}$$ and to 900 K for Cs$$_{2}$$UO$$_{4}$$. The thermal conductivities of these cesium ternary oxides were quite low compared with UO$$_{2}$$ and MOX fuel. This is consistent with previous findings. These results would be useful for evaluating the thermal performance of MOX fuels at the high burn-up region in the fast reactors.

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