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He, X.*; Kagi, Hiroyuki*; Komatsu, Kazuki*; Iizuka, Riko*; Okajima, Hajime*; Hattori, Takanori; Sano, Asami; Machida, Shinichi*; Abe, Jun*; Goto, Hirotada*; et al.
Journal of Molecular Structure, 1310, p.138271_1 - 138271_8, 2024/08
High-pressure responses of the O-D
F hydrogen bonds in deuterated magnesium hydroxyfluoride were investigated using neutron powder diffraction and Raman spectroscopy. The Rietveld analysis at ambient conditions revealed a chemical formula of Mg(OD)
F
and hydroxyl group/fluorine disorder (OD/F disorder) in the crystal structure, which gave rise to two hydrogen-bonding configurations. The Rietveld analysis showed the hydrogen-bonding geometries remains up to 9.8 GPa, indicating no pressure-induced strengthening of hydrogen bonds. The Raman spectra at ambient conditions showed three hydroxyl stretching bands at 2613, 2694, and 2718 cm
. The high frequencies of the O-D stretching modes indicated that the hydroxyls should be involved in weak or none hydrogen-bonding interactions. Up to 20.2 GPa, the mode initially centered at 2694 cm displayed a pressure-induced blue shift, revealing no strengthening of hydrogen bonds under compression. We discuss the existence of hydrogen bonds and the causes of the blue-shifting hydroxyls at ambient and at high pressures.
Mori, Yuichiro*; Kagi, Hiroyuki*; Aoki, Katsutoshi*; Takano, Masahiro*; Kakizawa, Sho*; Sano, Asami; Funakoshi, Kenichi*
Earth and Planetary Science Letters, 634, p.118673_1 - 118673_8, 2024/05
To investigate silicon effects on the hydrogen-induced volume expansion of iron, neutron diffraction and X-ray diffraction experiments were conducted to examine hcp-Fe
Si
under high pressures and high temperatures. Neutron diffraction experiments were performed on the deuterated hcp-FeSi at 13.5 GPa and 900 K, and at 12.1 GPa and 300 K. By combining the P-V-T equation of state of hcp-FeSi, present results indicate that the hydrogen-induced volume expansion of hcp-FeSi is 10% greater than that of pure hcp iron. Using the obtained values, we estimated the hydrogen content that would reproduce the density deficit in the inner core, which was 50% less than that without the effect of silicon. Possible hydrogen content, 
, in the inner core and the outer core was calculated to be 0.07 and 0.12-0.15, respectively, when reproducing the density deficit of the inner core with hcp-FeSiHx.
Nakayama, Shinsuke; Iwamoto, Osamu; Kimura, Atsushi
EPJ Web of Conferences, 294, p.07001_1 - 07001_6, 2024/04
Graphite is a candidate of moderator in innovative nuclear reactors such as molten salt reactors. Scattering of thermal neutrons by the moderator material has a significant impact on the reactor core design. To contribute to the development of innovative nuclear reactors, an evaluation method of thermal neutron scattering law for reactor grade graphite was studied. The inelastic scattering component due to lattice vibration was evaluated based on the phonon density of states computed with first-principles lattice dynamics simulations. The simulations were performed for ideal crystalline graphite. The coherent elastic scattering component due to crystal structure was evaluated based on neutron transmission and scattering experiments recently performed in the J-PARC/MLF facility. In comparison with the neutron transmission experiments, it was found that the quantification of small-angle neutron scattering due to structures larger than crystal, such as pores in graphite, is important. Based on the above methods, thermal neutron scattering law data for reactor-grade graphite at room temperature were evaluated.
-MgAgSbLi, J.*; Li, X.*; Zhang, Y.*; Zhu, J.*; Zhao, E.*; Kofu, Maiko; Nakajima, Kenji; Avdeev, M.*; Liu, P.-F.*; Sui, J.*; et al.
Applied Physics Reviews (Internet), 11(1), p.011406_1 - 011406_8, 2024/03
Times Cited Count：0 Percentile：0.01(Physics, Applied)
He spin filter and small-angle X-ray scatteringRyoki, Akiyuki*; Watanabe, Fumi*; Okudaira, Takuya*; Takahashi, Shingo*; Oku, Takayuki; Hiroi, Kosuke; Motokawa, Ryuhei; Nakamura, Yo*
Journal of Chemical Physics, 160(11), p.114907_1 - 114907_9, 2024/03
Ishida, Takekazu*; Vu, TheDang*; Shishido, Hiroaki*; Aizawa, Kazuya; Oku, Takayuki; Oikawa, Kenichi; Harada, Masahide; Kojima, Kenji M*; Miyajima, Shigeyuki*; Koyama, Tomio*; et al.
Journal of Low Temperature Physics, 214(3-4), p.152 - 157, 2024/02
Times Cited Count：0 Percentile：0.02(Physics, Applied)Shinohara, Yuya*; Iwashita, Takuya*; Nakanishi, Masahiro*; Osti, N. C.*; Kofu, Maiko; Nirei, Masami; Dmowski, W.*; Egami, Takeshi*
Journal of Physical Chemistry B, 128(6), p.1544 - 1549, 2024/02
Times Cited Count：0 Percentile：0.01(Chemistry, Physical)Hattori, Takanori; Suzuki, Koji*; Miyo, Tatsuya*; Ito, Takayoshi*; Machida, Shinichi*
Nuclear Instruments and Methods in Physics Research A, 1059, p.168956_1 - 168956_9, 2024/02
Times Cited Count：0 Percentile：0.02(Instruments & Instrumentation)Radial collimators (RC) with a 0.5 mm gauge size (GS) were specially designed for high-pressure neutron diffraction experiments and their performance and efficacy were investigated. The RCs with nominal GS of 0.75 mm, 1.5 mm, and 3.0 mm effectively exhibited GS of 0.50 mm, 1.07 mm, and 2.78 mm, respectively. The transmissions of all three RCs were almost equivalent. The assessment using a P-E press and a DAC revealed that the anvil scattering was considerably minimized and the sample-to-anvil signal ratio reached values of 0.5 and 2.0 for the PE press and DAC, respectively, when using the 0.5 mm-GS RCs. These results indicate that the 0.5mm-GS RCs have been fabricated as intended and exhibit efficacy for the high-pressure-neutron diffraction experiments, specifically those exceeding 30 GPa. Among those ever manufactured for neutron scattering experiments, the RCs display the smallest GS.
Naoe, Takashi; Wakui, Takashi; Kinoshita, Hidetaka; Kogawa, Hiroyuki; Teshigawara, Makoto; Haga, Katsuhiro
JAEA-Technology 2023-022, 81 Pages, 2024/01
JAEA-Technology-2023-022.pdf:9.87MB
In the liquid mercury target system for the pulsed spallation neutron source of Materials and Life Science Experimental Facility (MLF) in the Japan Proton Accelerator Research Complex (J-PARC), pressure waves that is generated by the high-energy proton beam injection simultaneously with the spallation reaction, resulting severe cavitation erosion damage on the interior surface of the mercury target vessel. Because the bubble of pressure wave-induced cavitation collapsing near the interior surface of the mercury target vessel with applying the large amplitude of localized impact on the surface. Since the wall thickness of the beam entrance portion of the target vessel is designed to be 3 mm to reduce thermal stress due to the internal heating, the erosion damage has the possibility to cause the vessel fatigue failure and mercury leakage originated from erosion pits during operation. To reduce the erosion damage by cavitation, a technique of gas microbubble injection into the mercury for pressure wave mitigation, and double-walled structure of the beam window of the target vessel has been applied. A specimen was cut from the beam window of the used mercury target vessel in order to investigate the effect of the damage mitigation technologies on the vessel, and to reflect the consideration of operation condition for the next target. We have observed cavitation damage on interior surface of the used mercury target vessel by cutting out the disk shape specimens. Damage morphology and depth of damaged surface were evaluated and correlation between the damage depth and operational condition was examined. The result showed that the erosion damage by cavitation is extremely reduced by injecting gas microbubbles and the damage not formed inside narrow channel of the double-walled structure for relatively high-power operated target vessels.
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
Times Cited Count：0 Percentile：0.01(Chemistry, Physical)Kofu, Maiko; Kawamura, Seiko; Murai, Naoki; Ishii, Rieko*; Hirai, Daigoro*; Arima, Hiroshi*; Funakoshi, Kenichi*
Physical Review Research (Internet), 6(1), p.013006_1 - 013006_9, 2024/01
Xu, P. G.; Zhang, S.-Y.*; Harjo, S.; Vogel, S. C.*; Tomota, Yo*
Quantum Beam Science (Internet), 8(1), p.7_1 - 7_13, 2024/01
Liss, K.-D.*; Han, J.-K.*; Blankenburg, M.*; Lienert, U.*; Harjo, S.; Kawasaki, Takuro; Xu, P. G.; Yukutake, Eitaro*; Kawasaki, M.*
Journal of Materials Science, 23 Pages, 2024/00
Times Cited Count：0 Percentile：0.01(Materials Science, Multidisciplinary)
Re in the keV energy regionKatabuchi, Tatsuya*; Sato, Yaoki*; Takebe, Karin*; Igashira, Masayuki*; Umezawa, Seigo*; Fujioka, Ryo*; Saito, Tatsuhiro*; Iwamoto, Nobuyuki
Journal of Nuclear Science and Technology, 6 Pages, 2024/00
Times Cited Count：0 Percentile：0.18(Nuclear Science & Technology)Zhou, L.*; Zhang, H.*; Qin, T. Y.*; Hu, F. F.*; Xu, P. G.; Ao, N.*; Su, Y. H.; He, L. H.*; Li, X. H.*; Zhang, J. R.*; et al.
Metallurgical and Materials Transactions A, 11 Pages, 2024/00
Times Cited Count：0Inamura, Yasuhiro
JAEA-Testing 2023-002, 80 Pages, 2023/12
JAEA-Testing-2023-002.pdf:2.43MB
"Utsusemi" is a suite of software used to process data obtained from measurements of neutron scattering experiments at the Materials and Life Science Experimental Facility (MLF), J-PARC. To directly obtain the physical quantities which scientists want to get from the data produced by instruments at MLF, many processes are required, such as creating histogram format data, easily visualizing and converting units and correcting intensity adapting the instrument conditions. "Utsusemi" software consists of many software components, many functions for data processing, graphical interface software for executing Utsusemi functions, data visualization applications, and so on. "Utsusemi" has already played an important role in data processing and has been widely employed in MLF beamlines. This document describes how to install the "Utsusemi" software on each operating system to be of help of instrument staff and users who want to process data by themselves. Installation of "Utsusemi" on Windows and macOS requires only general knowledge of working with PC applications according to this document.
Kumada, Takayuki; Motokawa, Ryuhei; Oba, Yojiro; Nakagawa, Hiroshi; Sekine, Yurina; Micheau, C.; Ueda, Yuki; Sugita, Tsuyoshi; Birumachi, Atsushi; Sasaki, Miki; et al.
Journal of Applied Crystallography, 56(6), p.1776 - 1783, 2023/12
Times Cited Count：1 Percentile：65.66(Chemistry, Multidisciplinary)The combination of the existing position-sensitive photomultiplier and the 3He main detector with focusing devices, and the newly installed front detectors in SANS-J at JRR-3 covers small-angle neutron scattering signals in the range of the magnitude of the scattering vector Q from 0.002 to 6 nm-1 gaplessly with three standard device layouts. The installation of the front detector and a graphical user interface system largely improved the usability of SANS-J.
Nakayama, Shinsuke
Journal of Nuclear Science and Technology, 60(12), p.1447 - 1453, 2023/12
Times Cited Count：0 Percentile：0.01(Nuclear Science & Technology)The d+Be neutron source is a candidate for transportable neutron source for on-site nondestructive inspection of infrastructure facilities such as bridges, tunnels and so on. The applicability of the d+Be neutron source to a transportable fast neutron source is explored by Monte Carlo particle transport simulations with PHITS and JENDL-5. The simulation results show that by increasing the shielding thickness by about 1.5 times, it is possible to realize the d+Be neutron source with the comparable performance to another candidate, the 2.5-MeV p+Li neutron source, at lower beam energy.
Tsuji, Hayato*; Nakahata, Masaki*; Hishida, Mafumi*; Seto, Hideki*; Motokawa, Ryuhei; Inoue, Takeru*; Egawa, Yasunobu*
Journal of Physical Chemistry Letters (Internet), 14(49), p.11235 - 11241, 2023/12
Times Cited Count：0 Percentile：0.01(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：0 Percentile：0.01(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.
