Hydroxyl group/fluorine disorder in deuterated magnesium hydroxyfluoride and behaviors of hydrogen bonds under high pressure

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

https://doi.org/10.1016/j.molstruc.2024.138271

High-pressure responses of the O-DF 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.

Hydrogenation of silicon-bearing hexagonal close-packed iron and its implications for density deficits in the inner core

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

https://doi.org/10.1016/j.epsl.2024.118673

To investigate silicon effects on the hydrogen-induced volume expansion of iron, neutron diffraction and X-ray diffraction experiments were conducted to examine hcp-FeSi 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.

Evaluation of thermal neutron scattering law of nuclear-grade isotropic graphite

Nakayama, Shinsuke; Iwamoto, Osamu; Kimura, Atsushi

EPJ Web of Conferences, 294, p.07001_1 - 07001_6, 2024/04

https://doi.org/10.1051/epjconf/202429407001

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.

Crystal-liquid duality driven ultralow two-channel thermal conductivity in -MgAgSb

Li, 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

https://doi.org/10.1063/5.0173680

Neutron transmission CB-KID imager using samples placed at room temperature

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

https://doi.org/10.1007/s10909-023-03030-9

Current status of experimental research that contributes to ensuring the quality of post-installed anchors using neutron beams

Mukai, Tomohisa*; Shobu, Takahisa

Kenchiku Bosai, (553), p.6 - 10, 2024/02

no abstracts in English

Technical note for the cavitation damage inspection for interior surface of the mercury target vessel, 2; Damage depth measurement for cavitation erosion

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.

Magnetic boson peak in classical spin glasses

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

https://doi.org/10.1103/PhysRevResearch.6.013006

Recrystallization of bulk nanostructured magnesium alloy AZ31 after severe plastic deformation; An in situ diffraction study

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

https://doi.org/10.1007/s10853-023-09250-4

Interpenetration of rubber and silane coupling agent on an inorganic substrate revealed by spin-contrast-variation neutron reflectivity

Kumada, Takayuki; Iwahara, Daisuke*; Nishitsuji, Shotaro*; Akutsu, Kazuhiro*; Miura, Daisuke; Motokawa, Ryuhei; Sugita, Tsuyoshi; Torikai, Naoya*; Amino, Naoya*; Oku, Takayuki; et al.

Journal of Physical Chemistry C, 6 Pages, 2024/00

https://doi.org/10.1021/acs.jpcc.4c00963

We elucidated the entanglement of polybutadiene and silane coupling agent (SCA) molecules bound to Si substrates using spin-contrast-variation (SCV) neutron reflectivity (NR). In an annealed integral blend film of polybutadiene and SCA, a SCA layer generated on the Si substrate was composed of 70 vol. percent SCA molecules extended perpendicularly from the silicon substrate and entangled with 30 vol. percent polybutadiene molecules. By contrast, in an SCA-precoated polybutadiene film, the SCA-precoated layer is composed of densely packed SCA molecules forming crystal-like structure, and thus did not become entangled with the postcoated polybutadiene molecules. This poor entanglement resulted in poor binding between polybutadiene and Si substrate.