Fabrication of hydrogen absorption nano-sized non-equilibrium material and observation of the static and dynamic structure by neutron scattering

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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.