| Project/Area Number |
25420903
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| Research Category |
Grant-in-Aid for Scientific Research (C)
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| Allocation Type | Multi-year Fund |
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| Section | 一般 |
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| Research Field |
Nuclear engineering
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| Research Institution | University of Fukui |
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Principal Investigator |
Yamawaki Michio 福井大学, 附属国際原子力工学研究所, 客員教授 (30011076)
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| Co-Investigator(Kenkyū-buntansha) |
ARITA Yuji 福井大学, 附属国際原子力工学研究所, 教授 (50262879)
YAMAMOTO Takuya 福井大学, 附属国際原子力工学研究所, 客員教授 (50212296)
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| Project Period (FY) |
2013-04-01 – 2016-03-31
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| Project Status |
Completed (Fiscal Year 2015)
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| Budget Amount *help |
¥5,070,000 (Direct Cost: ¥3,900,000、Indirect Cost: ¥1,170,000)
Fiscal Year 2015: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2014: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
Fiscal Year 2013: ¥2,080,000 (Direct Cost: ¥1,600,000、Indirect Cost: ¥480,000)
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| Keywords | ウラン金属間化合物 / 水素吸蔵特性 / 水素貯蔵材料 / 第一原理計算 / 結晶構造解析 / ウラン合金 / 水素吸蔵材料 / 金属間化合物 / 水素吸収放出実験 / 水素吸収 / 希土類金属 |
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| Outline of Final Research Achievements |
We have carried out the first principles calculations on ZrNiAl-type UTX(T=Ni, Pt, Pd etc.; X=Al, In etc,) compounds and their hydrides, which were compared with our experimental results. Key conclusions include: (i) UTXs absorb hydrogen till H/U=~0.7 with U3T-tetrahedral sites occupied by H atoms, followed by further H absorption till H/U=~2 while crystal lattice contracting along c-axis and certain T atoms moving along c-axis direction. Energetic advantage of the crystal structure changes as well as c-axis contraction in the first stage may play an important role for the second stage. (ii) The first principles calculation showed a good agreement with experiments, showing high potential of using the calculation to predict hydrogen absorption properties. (iii) Building a database on the hydrogenation of uranium alloys based on the first principles calculations additionally to experimental results will provide an important guidance to superior alloys for hydrogen storage.
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