Hydrogen vibration excitations of ZrH and TiH up to 21 GPa by incoherent inelastic neutron scattering

Hattori, Takanori; Nakamura, Mitsutaka; Iida, Kazuki*; Machida, Akihiko*; Sano, Asami; Machida, Shinichi*; Arima, Hiroshi*; Oshita, Hidetoshi*; Honda, Takashi*; Ikeda, Kazutaka*; et al.

Physical Review B, 106(13), p.134309_1 - 134309_9, 2022/10

https://doi.org/10.1103/PhysRevB.106.134309

Hydrogen vibration excitations of fluorite-type ZrH and TiH were investigated up to 21 GPa and 4 GPa, respectively, by incoherent inelastic neutron scattering experiments. The first excitation energies increased with pressure, as described by the equations (meV) = 141.4(2) + 1.02(2)(GPa) and (meV) = 149.4(1) + 1.21(8)(GPa) for ZrH and TiH, respectively. Coupling with pressure dependence of lattice parameters, the relations between metal-hydrogen distance () and are found to be well described by the equations (meV) = 1.62(9) 10 ((meV) = 1.47(21) 10 (AA), respectively. The slopes of these curves are much steep compared to the previously reported trend in various fluorite-type metal hydrides at ambient pressure. The hydrogen wave function spreading showed that the local potential field for a hydrogen atom shrinks more intensively than the tetrahedral site. These behavior is likely caused by the rigid metal ion core and the resulting confinement of the hydrogen atom in the narrower potential field at high pressures.

Magnetic structure of short-range ordering in intermetallic antiferromagnet MnRhSi

Kodama, Katsuaki; Honda, Takashi*; Yamauchi, Hiroki; Shamoto, Shinichi*; Ikeda, Kazutaka*; Otomo, Toshiya*

Journal of the Physical Society of Japan, 90(7), p.074710_1 - 074710_7, 2021/07

https://doi.org/10.7566/JPSJ.90.074710

Magnetic pair distribution function of spin-glass system MnFeTiO

Kodama, Katsuaki; Honda, Takashi*; Ikeda, Kazutaka*; Shamoto, Shinichi; Otomo, Toshiya*

JPS Conference Proceedings (Internet), 33, p.011059_1 - 011059_6, 2021/03

https://doi.org/10.7566/JPSCP.33.011059

Strong lattice anharmonicity exhibited by the high-energy optical phonons in thermoelectric material

Wu, P.*; Fan, F.-R.*; Hagihara, Masato*; Kofu, Maiko; Peng, K.*; Ishikawa, Yoshihisa*; Lee, S.*; Honda, Takashi*; Yonemura, Masao*; Ikeda, Kazutaka*; et al.

New Journal of Physics (Internet), 22(8), p.083083_1 - 083083_9, 2020/08

https://doi.org/10.1088/1367-2630/aba98f

Thermoelectric material SnSe has aroused world-wide interests in the past years, and its inherent strong lattice anharmonicity is regarded as a crucial factor for its outstanding thermoelectric performance. However, the understanding of lattice anharmonicity in SnSe system remains inadequate, especially regarding how phonon dynamics are affected by this behavior. In this work, we present a comprehensive study of lattice dynamics on NaSnSeS by means of neutron total scattering, inelastic neutron scattering, Raman spectroscopy as well as frozen-phonon calculations. Lattice anharmonicity is evidenced by pair distribution function, inelastic neutron scattering and Raman measurements. By separating the effects of thermal expansion and multi-phonon scattering, we found that the latter is very significant in high-energy optical phonon modes. The strong temperature-dependence of these phonon modes indicate the anharmonicity in this system. Moreover, our data reveals that the linewidths of high-energy optical phonons become broadened with mild doping of sulfur. Our studies suggest that the thermoelectric performance of SnSe could be further enhanced by reducing the contributions of high-energy optical phonon modes to the lattice thermal conductivity via phonon engineering.

Evaluation growing and collapsing behaviors of cavitation bubbles under flowing condition

Kawamura, Shunsuke; Naoe, Takashi; Ikeda, Tsubasa*; Tanaka, Nobuatsu*; Futakawa, Masatoshi

Advanced Experimental Mechanics, 4, p.33 - 37, 2019/08

A mercury enclosure vessel made of stainless steel is used as a spallation target in the pulsed spallation neutron source at J-PARC. It is severely damaged by the cavitation induced with pressure waves in association with the pulsed proton beam injection. A double-walled structure with a narrow mercury channel was adopted in the front end of the target vessel to reduce the cavitation damage. It has been experimentally demonstrated that the cavitation damage could be mitigated in the narrow channel but its mechanism has been unclarified yet. In this study, we investigated the cavitation from growing to collapsing through visualizing the spark-induced cavitation bubbles under flow field using a high-speed video camera. Furthermore, we measured the wall vibration due to the cavitation bubble collapse with changing flow velocity parametrically. It was found that the microjet collided perpendicular to the wall in the stagnant flow condition while it collided with an inclined angle from the perpendicular direction, suggesting that the collision pressure on the wall was reduced by flowing.

Radiocesium interaction with clay minerals; Theory and simulation advances Post-Fukushima

Okumura, Masahiko; Kerisit, S.*; Bourg, I. C.*; Lammers, L. N.*; Ikeda, Takashi*; Sassi, M.*; Rosso, K. M.*; Machida, Masahiko

Journal of Environmental Radioactivity, 189, p.135 - 145, 2018/09

https://doi.org/10.1016/j.jenvrad.2018.03.011

no abstracts in English

Materials and Life Science Experimental Facility (MLF) at the Japan Proton Accelerator Research Complex, 2; Neutron scattering instruments

Nakajima, Kenji; Kawakita, Yukinobu; Ito, Shinichi*; Abe, Jun*; Aizawa, Kazuya; Aoki, Hiroyuki; Endo, Hitoshi*; Fujita, Masaki*; Funakoshi, Kenichi*; Gong, W.*; et al.

Quantum Beam Science (Internet), 1(3), p.9_1 - 9_59, 2017/12

https://doi.org/10.3390/qubs1030009

The neutron instruments suite, installed at the spallation neutron source of the Materials and Life Science Experimental Facility (MLF) at the Japan Proton Accelerator Research Complex (J-PARC), is reviewed. MLF has 23 neutron beam ports and 21 instruments are in operation for user programs or are under commissioning. A unique and challenging instrumental suite in MLF has been realized via combination of a high-performance neutron source, optimized for neutron scattering, and unique instruments using cutting-edge technologies. All instruments are/will serve in world-leading investigations in a broad range of fields, from fundamental physics to industrial applications. In this review, overviews, characteristic features, and typical applications of the individual instruments are mentioned.

Small-angle neutron scattering study of specific interaction and coordination structure formed by mono-acetyl-substituted dibenzo-20-crown-6-ether and cesium ions

Motokawa, Ryuhei; Kobayashi, Toru; Endo, Hitoshi*; Ikeda, Takashi; Yaita, Tsuyoshi; Suzuki, Shinichi; Narita, Hirokazu*; Akutsu, Kazuhiro*; Heller, W. T.*

Journal of Nuclear Science and Technology, 53(8), p.1205 - 1211, 2016/08

https://doi.org/10.1080/00223131.2015.1102100

Mizunami Underground Research Laboratory Project, Annual report for fiscal year 2014

Hama, Katsuhiro; Mikake, Shinichiro; Ishibashi, Masayuki; Sasao, Eiji; Kuwabara, Kazumichi; Ueno, Tetsuro; Onuki, Kenji*; Beppu, Shinji; Onoe, Hironori; Takeuchi, Ryuji; et al.

JAEA-Review 2015-024, 122 Pages, 2015/11

JAEA-Review-2015-024.pdf:80.64MB

Japan Atomic Energy Agency (JAEA) at Tono Geoscience Center (TGC) is pursuing a geoscientific research and development project namely the Mizunami Underground Research Laboratory (MIU) Project in crystalline rock environment in order to construct scientific and technical basis for geological disposal of High-level Radioactive Waste (HLW). The MIU Project has three overlapping phases: Surface-based Investigation phase (Phase I), Construction phase (Phase II), and Operation phase (Phase III). The MIU Project has been ongoing the Phase III, as the Phase II was concluded for a moment with the completion of the excavation of horizontal tunnels at GL-500m level in February 2014. This report presents the results of the investigations, construction and collaboration studies in fiscal year 2014.

Mechanisms of oxygen reduction reactions for carbon alloy catalysts via first principles molecular dynamics

Ikeda, Takashi; Hou, Z.*; Chai, G.-L.*; Terakura, Kiyoyuki*

Hyomen Kagaku, 36(7), p.345 - 350, 2015/07

https://doi.org/10.1380/jsssj.36.345

Carbon alloy catalysts (CACs) are one of promising candidates for platinum-substitute cathode catalysts for polymer electrolyte fuel cells. We have investigated possible mechanisms of oxygen reduction reactions (ORRs) for CACs via first-principles-based molecular dynamics simulations. In this contribution, we review possible ORRs at likely catalytic sites of CACs suggested from our simulations.