2013 Fiscal Year Final Research Report
Design of hydrogen handling materials from magnetic susceptibility and electronic structure
| Project/Area Number |
23560830
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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 |
Structural/Functional materials
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| Research Institution | University of Toyama |
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Principal Investigator |
HARA Masanori 富山大学, 水素同位体科学研究センター, 准教授 (00334714)
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| Co-Investigator(Kenkyū-buntansha) |
NUNOMURA Norio 富山大学, 総合情報基盤センター, 准教授 (10372476)
AKAMARU Satoshi 富山大学, 水素同位体科学研究センター, 助教 (10420324)
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| Project Period (FY) |
2011 – 2013
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| Keywords | 水素吸蔵合金 / 熱力学特性 / 磁化率 / 電子状態計算 / 設計指針 |
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| Research Abstract |
Hydrogen equilibrium pressure, hysteresis and hydrogen absorption capacity of hydrogen absorbing alloys have been evaluated experimentally. To efficiently develop hydrogen absorbing alloys, electronic structure calculations hold attraction. In this study, the evaluation methods of thermodynamic properties of hydrogen absorbing alloys were considered from the viewpoint of the electronic structure. We found that the hydrogen absorbing capacities could be evaluated by the electronic structure calculations. The magnetometer working in hydrogen atmosphere was also constructed. The electronic structure calculated could be readily compared with the magnetic susceptibility obtained by the magnetometer.
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