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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
Times Cited Count:1 Percentile:58.65(Materials Science, Multidisciplinary)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. N
el temperature of 543(10) K was determined for
-MnD
. For
-MnD
, saturation magnetic moment and N
el temperature were determined to be 0.82(1)
and 347(3) K, respectively. The N
el temperatures determined for
-MnD
and
-MnD
are consistent with those predicted by the respective Slater-Pauling curves proposed in previous studies. The updated N
el temperatures provide insights into the development of more accurate Slater-Pauling curves based on electronic band structure calculations.
Chudo, Hiroyuki; Yokoi, Naoto*; Matsuo, Mamoru; Harii, Kazuya*; Suzuki, Jun*; Imai, Masaki; Sato, Masahiro*; Maekawa, Sadamichi*; Saito, Eiji*
Physical Review Letters, 134(13), p.130603_1 - 130603_5, 2025/04
Times Cited Count:0 Percentile:0.00(Physics, Multidisciplinary)Tanizaki, Shiho*; Kubo, Tomohiro*; Bito, Yosuke*; Mori, Shigeki*; Aoki, Hiroyuki; Sato, Kotaro*
RSC Sustainability (Internet), 3(4), p.1714 - 1720, 2025/04
Aoki, Katsutoshi*; Machida, Akihiko*; Saito, Hiroyuki*; Hattori, Takanori
Koatsuryoku No Kagaku To Gijutsu, 35(1), p.4 - 11, 2025/03
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.
Hojo, Tomohiko*; Koyama, Motomichi*; Kumai, Bakuya*; Zhou, Y.*; Shibayama, Yuki; Shiro, Ayumi*; Shobu, Takahisa; Saito, Hiroyuki*; Ajita, Saya*; Akiyama, Eiji*
ISIJ International, 65(2), p.284 - 296, 2025/02
Times Cited Count:0 Percentile:0.00(Metallurgy & Metallurgical Engineering)Iwata, Yoshihiro; Sekiya, Hiroyuki*; Ito, Chikara
Applied Physics A, 131, p.165_1 - 165_8, 2025/00
Times Cited Count:0 Percentile:0.00(Materials Science, Multidisciplinary)Among various analytical methods for liquid samples, time-resolved laser-induced luminescence spectroscopy enables real-time measurements of Gd ion concentrations in aqueous solution without sample introduction into the spectrometer. In this work, we have developed a real-time monitoring method for Gd concentration in water. The detection limit was determined to be
60 ppb for Gd sulfate in ultrapure water. This value is about two orders of magnitude better than the reported value using laser-induced breakdown spectroscopy, and is close to that using inductively coupled plasma optical emission spectrometry which requires sample introduction into the spectrometer.
Yamamoto, Katsuhiro*; Imai, Tatsuya*; Kawai, Atsuki*; Ito, Eri*; Miyazaki, Tsukasa*; Miyata, Noboru*; Yamada, Norifumi*; Seto, Hideki*; Aoki, Hiroyuki
ACS Applied Materials & Interfaces, 16(48), p.66782 - 66791, 2024/11
Times Cited Count:1 Percentile:12.32(Nanoscience & Nanotechnology)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
Times Cited Count:0 Percentile:0.00(Multidisciplinary Sciences)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.
Ito, Shinji*; Shimizu, Hiroyuki*; Ono, Shintaro*; Takayama, Yusuke
Doboku Gakkai Rombunshu (Internet), 80(8), p.24-00030_1 - 24-00030_18, 2024/08
In the design consideration of a geological disposal facility for radioactive waste, it is essential to perform a mechanical evaluation that takes into account phenomena that may occur from construction and operation to post-closure. With this background, we have developed the long-term mechanical analysis system MACBECE. In this research, we have built an analysis system that can consistently evaluate the mechanical behavior considering the thermal and hydraulic evolution after the closure of the repository by incorporating the constitutive model for unsaturated soils and coupling with the thermal-hydraulic analysis. As a validation, a mechanical analysis was conducted for the in-situ experiment for full-scale engineered barrier system performance experiment at Horonobe URL. Despite some discrepancies due to constraints in two-dimensional analysis, the extended functionality of the analysis code was confirmed to effectively repro-duce the measured data.
Nemoto, Takahiro; Fujiwara, Yusuke; Arakawa, Ryoki; Choyama, Yuya; Nagasumi, Satoru; Hasegawa, Toshinari; Yokoyama, Keisuke; Watanabe, Masashi; Onishi, Takashi; Kawamoto, Taiki; et al.
JAEA-Technology 2024-003, 17 Pages, 2024/06
In order to investigate the cause of the increase in differential pressure in the primary helium circulator filter that occurred during the RS-14 cycle, a clogged filter was investigated. As a result of the investigation, deposits caused by silicone oil were confirmed on the surface of the filter element. These results revealed that the cause of filter clogging was silicone oil mixed into the primary system due to performance deterioration of the charcoal filter in the gas circulator of primary helium purification system. As a measure to prevent the recurrence of this event, in addition to the conventional management based on operating hours for replacing of charcoal filter in the gas circulator of primary helium purification system, we have established a new replacement plan for every three years.
O ice observed by neutron diffractionKomatsu, Kazuki*; Hattori, Takanori; Klotz, S.*; Machida, Shinichi*; Yamashita, Keishiro*; Ito, Hayate*; Kobayashi, Hiroki*; Irifune, Tetsuo*; Shimmei, Toru*; Sano, Asami; et al.
Nature Communications (Internet), 15, p.5100_1 - 5100_7, 2024/06
Times Cited Count:12 Percentile:88.24(Multidisciplinary Sciences)Hydrogen bond symmetrisation is the phenomenon where a hydrogen atom is located at the centre of a hydrogen bond. Theoretical studies predict that hydrogen bonds in ice VII eventually undergo symmetrisation upon increasing pressure, involving nuclear quantum effect with significant isotope effect and drastic changes in the elastic properties through several intermediate states with varying hydrogen distribution. Despite numerous experimental studies conducted, the location of hydrogen and hence the transition pressures reported up to date remain inconsistent. Here we report the atomic distribution of deuterium in D
O ice using neutron diffraction above 100 GPa and observe for the first time the transition from a bimodal to a unimodal distribution of deuterium at around 80 GPa. At the transition pressure, a significant narrowing of the peak widths of 110 was also observed, attributed to the structural relaxation by the change of elastic properties.
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
Times Cited Count:2 Percentile:40.43(Engineering, Environmental)
Si
Kon, Fusako*; Tabata, Chihiro; Saito, Hiraku*; Nakajima, Taro*; Hidaka, Hiroyuki*; Yanagisawa, Tatsuya*; Amitsuka, Hiroshi*
Journal of the Physical Society of Japan, 93(4), p.044701_1 - 044701_11, 2024/04
Times Cited Count:0 Percentile:0.00(Physics, Multidisciplinary)
Pt-labeled platinum complex and evaluation of its biodistribution in healthy miceOmokawa, Marina*; Kimura, Hiroyuki*; Hatsukawa, Yuichi*; Kawashima, Hidekazu*; Tsukada, Kazuaki; Yagi, Yusuke*; Naito, Yuki*; Yasui, Hiroyuki*
Bioorganic & Medicinal Chemistry, 97, p.117557_1 - 117557_6, 2024/01
Times Cited Count:1 Percentile:11.80(Biochemistry & Molecular Biology)
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
Times Cited Count:0 Percentile:0.00(Chemistry, Physical)
neutron diffractionKobayashi, Hiroki*; Komatsu, Kazuki*; Ito, Hayate*; Machida, Shinichi*; Hattori, Takanori; Kagi, Hiroyuki*
Journal of Physical Chemistry Letters (Internet), 14(47), p.10664 - 10669, 2023/11
Times Cited Count:2 Percentile:18.02(Chemistry, Physical)Ice IV is a metastable high-pressure phase of ice in which the water molecules exhibit orientational disorder. Although orientational ordering is commonly observed for other ice phases, it has not been reported for ice IV. We conducted
powder neutron diffraction experiments for DCl-doped D
O ice IV to investigate hydrogen ordering in ice IV. We found abrupt changes in the temperature derivative of unit cell volume, dV/dT, at about 120 K, and revealed their slightly ordered structure at low temperatures based on the Rietveld method. The occupancy of the D1 site deviates from 0.5; it increased when samples were cooled at higher pressures and reached 0.282(5) at 2.38 GPa, 58 K. Our results evidence the presence of a low-symmetry hydrogen-ordered state corresponding to ice IV. It seems, however, difficult to experimentally access the completely ordered phase corresponding to ice IV by slow cooling at high pressure.
Hashimoto, Kei*; Shiwaku, Toru*; Aoki, Hiroyuki; Yokoyama, Hideaki*; Mayumi, Koichi*; Ito, Kozo*
Science Advances (Internet), 9(47), p.eadi8505_1 - eadi8505_8, 2023/11
Times Cited Count:76 Percentile:99.05(Multidisciplinary Sciences)Umeda, Maki; Chudo, Hiroyuki; Imai, Masaki; Sato, Nana; Saito, Eiji
Review of Scientific Instruments, 94(6), p.063906_1 - 063906_8, 2023/06
Times Cited Count:2 Percentile:18.76(Instruments & Instrumentation)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
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.
Ni
D
at high
conditionsShito, Chikara*; Kagi, Hiroyuki*; Kakizawa, Sho*; Aoki, Katsutoshi*; Komatsu, Kazuki*; Iizuka, Riko*; Abe, Jun*; Saito, Hiroyuki*; Sano, Asami; Hattori, Takanori
American Mineralogist, 108(4), p.659 - 666, 2023/04
Times Cited Count:5 Percentile:54.91(Geochemistry & Geophysics)The phase relation and crystal structure of Fe
Ni
H
(D
) at high pressures and temperatures up to 12 GPa and 1000 K were clarified by in-situ X-ray and neutron diffraction measurements. Under
conditions of the present study, no deuterium atoms occupied tetragonal (
) sites of face-centered cubic (fcc) Fe
Ni
D
unlike fcc FeH
(D
). The deuterium-induced volume expansion per deuterium
was determined as 2.45(4)
and 3.31(6)
for fcc and hcp phases, respectively, which were significantly larger than the corresponding values for FeD
. The
value slightly increased with increasing temperature. This study suggests that only 10% of nickel in iron drastically changes the behaviors of hydrogen in metal. Assuming that
is constant regardless of pressure, the maximum hydrogen content in the Earth's inner core is estimated to be one to two times the amount of hydrogen in the oceans.