| Project/Area Number |
20360316
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| Research Category |
Grant-in-Aid for Scientific Research (B)
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| Allocation Type | Single-year Grants |
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| Section | 一般 |
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| Research Field |
Structural/Functional materials
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| Research Institution | Kyoto University |
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Principal Investigator |
FUKUNAGA Toshiharu Kyoto University, 原子炉実験所, 教授 (60142072)
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| Co-Investigator(Kenkyū-buntansha) |
ITOH Keiji 京都大学, 原子炉実験所, 助教 (80324713)
MORI Kazuhiro 京都大学, 原子炉実験所, 助教 (40362412)
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| Project Period (FY) |
2008 – 2010
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| Project Status |
Completed (Fiscal Year 2010)
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| Budget Amount *help |
¥19,890,000 (Direct Cost: ¥15,300,000、Indirect Cost: ¥4,590,000)
Fiscal Year 2010: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2009: ¥2,210,000 (Direct Cost: ¥1,700,000、Indirect Cost: ¥510,000)
Fiscal Year 2008: ¥16,250,000 (Direct Cost: ¥12,500,000、Indirect Cost: ¥3,750,000)
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| Keywords | 水素吸蔵 / 非平衡化合物 / 中性子散乱 / 原子構造 / 動的構造 / 水素吸蔵材料 / 非平衡材料 / 構造解析 / X線回折 / 構造因子 / 原子分布 / リバースモンテカルロ法 / 水素 |
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| Research Abstract |
The occupation of hydrogen atoms in the nano-graphite, the LaNi_5Dx amorphous alloys, and the Mg_<50>Ni_<50> amorphous alloy, which were synthesized by milling under hydrogen atmosphere, was clarified by a combination of neutron diffraction and Reverse Monte Carlo (RMC) simulation. Then, topological characteristics of Zr_<0.39>Ni_<0.61> and (Zr_<0.39>Ni_<0.61>)D_<0.59> amorphous alloys were investigated by using Voronoi analysis of the RMC model. The SANS curve for the deuterated Mg_2Ni showed the homogeneous distribution of hydrogen atoms. The behavior of hydrogen molecules adsorbed onto the nanospace of porous materials is of great interest and then a direct visualization of deuterium molecules adsorbed on isoreticular metal organic frameworks (IRMOF-1) was carried out by using reverse Monte Carlo simulation based on first principle molecular dynamics simulation and neutron diffraction. During the research period, we have constructed new total scattering spectrometer (NOVA) at the spallation neutron source in MLF facility of J-PARC.
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