Local structural changes in V-Ti-Cr alloy hydrides with hydrogen absorption/desorption cycling

Ikeda, Kazutaka*; Sashida, Sho*; Otomo, Toshiya*; Oshita, Hidetoshi*; Honda, Takashi*; Hawai, Takafumi*; Saito, Hiraku*; Ito, Shinichi*; Yokoo, Tetsuya*; Sakaki, Koji*; et al.

International Journal of Hydrogen Energy, 51(Part A), p.79 - 87, 2024/01

https://doi.org/10.1016/j.ijhydene.2023.10.318

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.

Displacement of hydrogen position in di-hydride of V-Ti-Cr solid solution alloys

Sakaki, Koji*; Kim, H.*; Majzoub, E. H.*; Machida, Akihiko*; Watanuki, Tetsu*; Ikeda, Kazutaka*; Otomo, Toshiya*; Mizuno, Masataka*; Matsumura, Daiju; Nakamura, Yumiko*

Acta Materialia, 234, p.118055_1 - 118055_10, 2022/08

https://doi.org/10.1016/j.actamat.2022.118055

Commissioning of Versatile Compact Neutron Diffractometer (VCND) at the B-3 beam port of Kyoto University Research Reactor (KUR)

Mori, Kazuhiro*; Okumura, Ryo*; Yoshino, Hirofumi*; Kanayama, Masaya*; Sato, Setsuo*; Oba, Yojiro; Iwase, Kenji*; Hiraka, Haruhiro*; Hino, Masahiro*; Sano, Tadafumi*; et al.

JPS Conference Proceedings (Internet), 33, p.011093_1 - 011093_6, 2021/03

https://doi.org/10.7566/JPSCP.33.011093

no abstracts in English

Local- and intermediate-range order in room temperature superionic conducting Ag-GeSe glasses

Hosokawa, Shinya*; Kawakita, Yukinobu; Stellhorn, J. R.*; Pusztai, L.*; Blanc, N.*; Boudet, N.*; Ikeda, Kazutaka*; Otomo, Toshiya*

JPS Conference Proceedings (Internet), 33, p.011070_1 - 011070_7, 2021/03

BB2019-1957.pdf:3.47MB

https://doi.org/10.7566/JPSCP.33.011070

Local- and intermediate-range atomic order in Ag ion conducting glasses Ag(GeSe) with x = 0.15, 0.28, 0.33, and 0.50 were investigated by using a combination of AXS, XRD, ND, and RMC modeling. By adding the ND pdf to AXS and XRD results, reasonable partial structure factors and partial pdf were obtained by the RMC procedure. In contrast to the previous AXS and RMC study, a large number of Ag-Ge and Ge-Ge correlations are observed in the first coordination shell region, which is consistent with an MD simulation. The coordination numbers around the Ge and Se mostly follow the 8- rule over all Ag concentrations if Ag is not taken into account. With increasing the Ag concentration, the partial coordination numbers with Ge and Se atoms around Ag remarkably increases, while the Ag-Ag coordination number increases only slightly, indicating that the Ag conducting path is formed through the second neighboring Ag-Ag correlations.

Structural investigation of sulfonated polyphenylene ionomers for the design of better performing proton-conductive membranes

Shiino, Keisuke*; Otomo, Toshiya; Yamada, Takeshi*; Arima, Hiroshi*; Hiroi, Kosuke; Takata, Shinichi; Miyake, Jumpei*; Miyatake, Kenji*

ACS Applied Polymer Materials (Internet), 2(12), p.5558 - 5565, 2020/11

https://doi.org/10.1021/acsapm.0c00895

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.

Structural and electrochemical features of (LiS)(SiS) superionic glasses

Mori, Kazuhiro*; Iwase, Kenji*; Oba, Yojiro; Ikeda, Kazutaka*; Otomo, Toshiya*; Fukunaga, Toshiharu*

Solid State Ionics, 344, p.115141_1 - 115141_10, 2020/01

https://doi.org/10.1016/j.ssi.2019.115141

no abstracts in English

Elastic and dynamical structural properties of La and Mn-doped SrTiO studied by neutron scattering and their relation with thermal conductivities

Kajimoto, Ryoichi; Nakamura, Mitsutaka; Murai, Naoki; Shamoto, Shinichi; Honda, Takashi*; Ikeda, Kazutaka*; Otomo, Toshiya*; Hata, Hiroto*; Eto, Takahiro*; Noda, Masaaki*; et al.

Scientific Reports (Internet), 8(1), p.9651_1 - 9651_8, 2018/06

https://doi.org/10.1038/s41598-018-27984-z

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.