Neutron diffraction study of the crystal and magnetic structures of antiferromagnetic manganese deuteride at high temperatures and high pressures

Machida, Akihiko*; Saito, Hiroyuki*; Aoki, Katsutoshi*; Komatsu, Kazuki*; Hattori, Takanori; Sano, Asami; Funakoshi, Kenichi*; Machida, Shinichi*; Sato, Toyoto*; Orimo, Shinichi*

Physical Review B, 111(22), p.224413_1 - 224413_6, 2025/06

https://doi.org/10.1103/yf8k-cy61

The crystal and magnetic structures of antiferromagnetic Mn deuterides formed by hydrogenating Mn metal at high temperature and high pressure, fcc -MnDx and hcp -MnDx, were investigated by in-situ neutron powder diffraction. Deuterium atoms partially occupied the octahedral interstitial positions of the fcc and hcp metal lattices. The site occupancies increased rapidly with decreasing temperature from 700 to 450 K and remained down to 300 K. Nel temperature of 543(10) K was determined for -MnD. For -MnD, saturation magnetic moment and Nel temperature were determined to be 0.82(1) and 347(3) K, respectively. The Nel temperatures determined for -MnD and -MnD are consistent with those predicted by the respective Slater-Pauling curves proposed in previous studies. The updated Nel temperatures provide insights into the development of more accurate Slater-Pauling curves based on electronic band structure calculations.

A Decade of neutron diffraction study of iron hydrides

Aoki, Katsutoshi*; Machida, Akihiko*; Saito, Hiroyuki*; Hattori, Takanori

Koatsuryoku No Kagaku To Gijutsu, 35(1), p.4 - 11, 2025/03

https://doi.org/10.4131/jshpreview.35.4

Iron reacts with hydrogen to form solid solutions with body-centered cubic, face-centered cubic, hexagonal close packed, and double hexagonal close packed structures at high temperatures and high pressures. Neutron diffraction is the most powerful tool for determining the occupation sites and occupancies of hydrogen atoms dissolved in a metal lattice. Structural parameters, including hydrogen occupation sites and occupancies, are refined via Rietveld analysis for neutron diffraction data. We present our expertise in Rietveld refinement of iron hydrides accumulated over 10 years.

Addendum: Site occupancy of interstitial deuterium atoms in face-centred cubic iron

Machida, Akihiko*; Saito, Hiroyuki*; Sugimoto, Hidehiko*; Hattori, Takanori; Sano, Asami; Endo, Naruki*; Katayama, Yoshinori*; Iizuka, Riko*; Sato, Toyoto*; Matsuo, Motoaki*; et al.

Nature Communications (Internet), 15, p.8861_1 - 8861_2, 2024/10

https://doi.org/10.1038/s41467-024-52736-1

In our previous article (Nature Commun. 5, 5063 (2014)), the site occupancies of D atoms dissolved in an fcc Fe metal lattice were investigated via Rietveld refinement of neutron powder diffraction patterns collected at 988 K and 6.3 GPa. The fcc metal lattice has two interstitial sites available for accommodating D atoms: octahedral and tetrahedral sites. The Rietveld refinement revealed that D atoms occupied mainly the octahedral sites with occupancy of 0.532 and slightly the tetrahedral sites with occupancy of 0.056. Subsequent density-functional-theory (DFT) calculations by Antonov (Phys. Rev. Mater. 2019)) showed that the occupation energy on the tetrahedral site was significantly higher than that on the octahedral site; the tetrahedral site occupation was unlikely to occur even at temperatures as high as 988 K. We reexamined the site occupancies of D-atom by Rietveld refinement including extinction correction. As a result, the octahedral occupancy was increased to 0.60 and the tetrahedral occupancy was reduced to zero. The occupation of only the octahedral site for D atom is consistent with the DFT calculation, although in contrast to the previous results.

"Invisible" radioactive cesium atoms revealed; Pollucite inclusion in cesium-rich microparticles (CsMPs) from the Fukushima Daiichi Nuclear Power Plant

Miyazaki, Kanako*; Takehara, Masato*; Minomo, Kenta*; Horie, Kenji*; Takehara, Mami*; Yamasaki, Shinya*; Saito, Takumi*; Onuki, Toshihiko*; Takano, Masahide; Shiotsu, Hiroyuki; et al.

Journal of Hazardous Materials, 470(15), p.134104_1 - 134104_11, 2024/05

https://doi.org/10.1016/j.jhazmat.2024.134104

Ga K-edge XANES study of Ga-exchanged zeolites at high temperatures under different atmospheres including vacuum, CO, and pressurized H

Huang, M.*; Kinjo, Tetsuya*; Yasumura, Shunsaku*; Toyao, Takashi*; Matsumura, Daiju; Saito, Hiroyuki*; Shimizu, Kenichi*; Namiki, Norikazu*; Maeno, Zen*

Catalysis Science & Technology, 13(23), p.6832 - 6838, 2023/12

https://doi.org/10.1039/D3CY01250F

Differential pressure rise event for filters of HTTR primary helium gas circulators, 1; Investigation of differential pressure rise event

Nemoto, Takahiro; Arakawa, Ryoki; Kawakami, Satoru; Nagasumi, Satoru; Yokoyama, Keisuke; Watanabe, Masashi; Onishi, Takashi; Kawamoto, Taiki; Furusawa, Takayuki; Inoi, Hiroyuki; et al.

JAEA-Technology 2023-005, 33 Pages, 2023/05

JAEA-Technology-2023-005.pdf:5.25MB

During shut down of the HTTR (High Temperature engineering Test Reactor) RS-14 cycle, an increasing trend of filter differential pressure for the helium gas circulator was observed. In order to investigate this phenomenon, the blower of the primary helium purification system was disassembled and inspected. As a result, it is clear that the silicon oil mist entered into the primary coolant due to the deterioration of the charcoal filter performance. The replacement and further investigation of the filter are planning to prevent the reoccurrence of the same phenomenon in the future.

Spin and spin current; From fundamentals to recent progress

Maekawa, Sadamichi; Kikkawa, Takashi*; Chudo, Hiroyuki; Ieda, Junichi; Saito, Eiji

Journal of Applied Physics, 133(2), p.020902_1 - 020902_24, 2023/01

https://doi.org/10.1063/5.0133335

Sodium-cooled Fast Reactors

Ohshima, Hiroyuki; Morishita, Masaki*; Aizawa, Kosuke; Ando, Masanori; Ashida, Takashi; Chikazawa, Yoshitaka; Doda, Norihiro; Enuma, Yasuhiro; Ezure, Toshiki; Fukano, Yoshitaka; et al.

Sodium-cooled Fast Reactors; JSME Series in Thermal and Nuclear Power Generation, Vol.3, 631 Pages, 2022/07

https://shop.elsevier.com/books/sodium-cooled-fast-reactors/morishita/978-0-12-824076-2

This book is a collection of the past experience of design, construction, and operation of two reactors, the latest knowledge and technology for SFR designs, and the future prospects of SFR development in Japan. It is intended to provide the perspective and the relevant knowledge to enable readers to become more familiar with SFR technology.

Repeatable photoinduced insulator-to-metal transition in yttrium oxyhydride epitaxial thin films

Komatsu, Yuya*; Shimizu, Ryota*; Sato, Ryuhei*; Wilde, M.*; Nishio, Kazunori*; Katase, Takayoshi*; Matsumura, Daiju; Saito, Hiroyuki*; Miyauchi, Masahiro*; Adelman, J. R.*; et al.

Chemistry of Materials, 34(8), p.3616 - 3623, 2022/04

https://doi.org/10.1021/acs.chemmater.1c03450

Time-resolved 3D visualization of liquid jet breakup and impingement behavior in a shallow liquid pool

Kimura, Fumihito*; Yamamura, Sota*; Fujiwara, Kota*; Yoshida, Hiroyuki; Saito, Shimpei*; Kaneko, Akiko*; Abe, Yutaka*

Nuclear Engineering and Design, 389, p.111660_1 - 111660_11, 2022/04

https://doi.org/10.1016/j.nucengdes.2022.111660