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molecular orbital method to 
-uranium alloys with transition metalsKurihara, Masayoshi*; Hirata, Masaru; Onoe, Jun*; Nakamatsu, Hirohide*
Progress in Nuclear Energy, 50(2-6), p.549 - 555, 2008/03
Times Cited Count：1 Percentile：10.05(Nuclear Science & Technology)The alloying behavior of 4d and 5d transition metals (TMs) in -phase solid uranium (U) has been investigated using the discrete-variational Dirac-Fock-Slater (DV-DFS) method. We examined the d-orbital energy (Md value) of these TMs, the orbital overlap population (OOP) between the d-orbital of these TMs and the 5f or 6d orbital of -U, and the effective charge on each atom of the -U/TM alloy, and the effect of these parameters on alloying. It was found that the maximum solid solubility of TMs into -U was exponentially proportional to both the Md and the OOP (U5f-TMd and U6d-TMd). We found a good correlation between the MSS and Md, the effective charge, or OOP.
-uranium metal; -uranium alloy with 3d transition metalsKurihara, Masayoshi*; Hirata, Masaru; Sekine, Rika*; Onoe, Jun*; Nakamatsu, Hirohide*
Journal of Nuclear Materials, 326(2-3), p.75 - 79, 2004/03
Times Cited Count：12 Percentile：61.53(Materials Science, Multidisciplinary)We have investigated the alloying behavior of g-uranium with 3d transition metals (TMs) using the relativistic discrete-variational Dirac-Fock-Slater (DV-DFS) method. The d-orbital energy (Md) as an alloying parameter well reproduces the alloying behavior of g- uranium metal with TMs: (1) in the case of a large Md value (Ti,V,Cr), the solubility of these TM elements in g-uranium becomes large; (2) in the case of a middle Md value (Mn,Fe,Co), the tendency to form a uranium intermetallic compound with these elements becomes stronger; (3) in the case of a small Md value (Cu), the alloying element is insoluble in g-uranium. The alloying behavior of g-uranium with TMs is also discussed in terms of other parameters such as electronegativity and metallic radius.
Hirata, Masaru; Bastug, T.*; Tachimori, Shoichi; Sekine, Rika*; Onoe, Jun*; Nakamatsu, Hirohide*
Advances in Quantum Chemistry, Volume 37, p.325 - 333, 2001/00
no abstracts in English
Hirata, Masaru; Tachimori, Shoichi; Sekine, Rika*; Onoe, Jun*; Nakamatsu, Hirohide*
Advances in Quantum Chemistry, Volume 37, p.335 - 351, 2001/00
no abstracts in English
-uranium metalKurihara, Masayoshi*; Hirata, Masaru; Sekine, Rika*; Onoe, Jun*; Nakamatsu, Hirohide*
Journal of Nuclear Materials, 281(2-3), p.140 - 145, 2000/10
Times Cited Count：3 Percentile：26.42(Materials Science, Multidisciplinary)no abstracts in English
Hirata, Masaru; Bastug, T.*; Sekine, Rika*; Onoe, Jun*; Nakamatsu, Hirohide*; Mukoyama, Takeshi*
JAERI-Review 99-008, 29 Pages, 1999/03
JAERI-Review-99-008.pdf:1.45MB
no abstracts in English
Kurihara, Masayoshi*; Hirata, Masaru; Sekine, Rika*; Onoe, Jun*; Nakamatsu, Hirohide*; Mukoyama, Takeshi*; *
Journal of Alloys and Compounds, 283, p.128 - 132, 1999/00
Times Cited Count：10 Percentile：59.64(Chemistry, Physical)no abstracts in English
Hirata, Masaru; Sekine, Rika*; Onoe, Jun*; Nakamatsu, Hirohide*; Mukoyama, Takeshi*; *; Tachimori, Shoichi
Journal of Alloys and Compounds, 271-273, p.128 - 132, 1998/00
Times Cited Count：8 Percentile：52.63(Chemistry, Physical)no abstracts in English
(NO
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2HOHirata, Masaru; *; Sekine, Rika*; Onoe, Jun*; Nakamatsu, Hirohide*; Mukoyama, Takeshi*; *; *
Journal of Electron Spectroscopy and Related Phenomena, 83(1), p.59 - 64, 1997/00
Times Cited Count：19 Percentile：63.17(Spectroscopy)no abstracts in English
