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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-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.
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-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.
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.
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)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:0Yamashita, Keishiro*; Nakayama, Kazuya*; Komatsu, Kazuki*; Ohara, Takashi; Munakata, Koji*; Hattori, Takanori; Sano, Asami; Kagi, Hiroyuki*
Acta Crystallographica Section B; Structural Science, Crystal Engineering and Materials (Internet), 79(5), p.414 - 426, 2023/10
Times Cited Count:0 Percentile:0.02(Chemistry, Multidisciplinary)The structure of a recently-found hyperhydrated form of sodium chloride, NaCl 13H(D)O, has been determined by single-crystal neutron diffraction at 1.7 GPa and 298 K. It has large hydrogen-bond networks and some water molecules have distorted bonding features such as bifurcated hydrogen bonds and five-coordinated water molecules. The hydrogen-bond network has similarities to ice VI in terms of network topology and disordered hydrogen bonds. Assuming the equivalence of network components connected by pseudo symmetries, the overall network structure of this hydrate can be expressed by breaking it down into smaller structural units which correspond to the ice VI network structure. This hydrogen-bond network contains orientational disorder of water molecules in contrast to the known salt hydrates. Here, we present an example for further insights into a hydrogen-bond network containing ionic species.
Abeykoon, S.*; Howard, C.*; Dominijanni, S.*; Eberhard, L.*; Kurnosov, A.*; Frost, D. J.*; Boffa Ballaran, T.*; Terasaki, Hidenori*; Sakamaki, Tatsuya*; Suzuki, Akio*; et al.
Journal of Geophysical Research; Solid Earth, 128(9), p.e2023JB026710_1 - e2023JB026710_17, 2023/09
Times Cited Count:0 Percentile:0.01(Geochemistry & Geophysics)Small amounts of iron sulphide minerals are found in most rocks from the Earth's mantle and as inclusions trapped in natural diamonds. Hydrogen may dissolve into iron sulphide minerals under high pressures and temperature, but is most likely lost once pressure and temperature are removed. In this study, we determined deuterium contents in iron sulphide, held under high pressure and temperature conditions, using neutron diffraction measurements with 6-ram multi-anvil press at PLANET, J-PARC. Deuterium contents in iron sulphide were measured at high-P, up to 11.4 GPa and high-T to 1300 K in in situ neutron diffraction experiments. The total deuterium content increases with both P and T. The results are used to estimate hydrogen contents of iron sulphide minerals in the deep continental lithospheric mantle, which are found to be in the range 1700-2700 ppm. This corresponds to approximately 2-3 ppm of hydrogen in the bulk mantle.
Harjo, S.; Gong, W.; Aizawa, Kazuya; Kawasaki, Takuro; Yamasaki, Michiaki*
Acta Materialia, 255, p.119029_1 - 119029_12, 2023/08
Times Cited Count:6 Percentile:95.52(Materials Science, Multidisciplinary)Nakanishi, Takumi*; Hori, Yuta*; Shigeta, Yasuteru*; Sato, Hiroyasu*; Kiyanagi, Ryoji; Munakata, Koji*; Ohara, Takashi; Okazawa, Atsushi*; Shimada, Rintaro*; Sakamoto, Akira*; et al.
Journal of the American Chemical Society, 145(35), p.19177 - 19181, 2023/08
Times Cited Count:0 Percentile:0(Chemistry, Multidisciplinary)Shimoda, Ami*; Iwasa, Kazuaki*; Kuwahara, Keitaro*; Sagayama, Hajime*; Nakao, Hironori*; Ishikado, Motoyuki*; Ohara, Takashi; Nakao, Akiko*; Hoshikawa, Akinori*; Ishigaki, Toru*
JPS Conference Proceedings (Internet), 38, p.011091_1 - 011091_6, 2023/05
Nakanishi, Takumi*; Hori, Yuta*; Shigeta, Yasuteru*; Sato, Hiroyasu*; Wu, S.-Q.*; Kiyanagi, Ryoji; Munakata, Koji*; Ohara, Takashi; Sato, Osamu*
Physical Chemistry Chemical Physics, 25(17), p.12394 - 12400, 2023/05
Times Cited Count:1 Percentile:56.86(Chemistry, Physical)Shito, 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:1 Percentile:64.83(Geochemistry & Geophysics)The phase relation and crystal structure of FeNiH (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) FeNiD 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.
Tanaka, Seiya*; Kiyanagi, Ryoji; Ishikawa, Yoshihisa*; Amako, Yasushi*; Iiyama, Taku*; Futamura, Ryusuke*; Maruyama, Kenichi*; Utsumi, Shigenori*
Physical Review Materials (Internet), 7(1), p.014403_1 - 014403_11, 2023/01
Times Cited Count:0 Percentile:0(Materials Science, Multidisciplinary)Harjo, S.; Gong, W.; Kawasaki, Takuro; Morooka, Satoshi; Yamashita, Takayuki*
ISIJ International, 62(10), p.1990 - 1999, 2022/10
Times Cited Count:0 Percentile:0(Metallurgy & Metallurgical Engineering)Yamanaka, Takamitsu*; Hirao, Naohisa*; Nakamoto, Yuki*; Mikouchi, Takashi*; Hattori, Takanori; Komatsu, Kazuki*; Mao, H.-K.*
Physics and Chemistry of Minerals, 49(10), p.41_1 - 41_14, 2022/10
Times Cited Count:0 Percentile:0.02(Materials Science, Multidisciplinary)Magnetic and crystal structure of MnFeO solid solutions under high-PT conditions are investigated by neutron diffraction and synchrotron Mssbauer spectroscopy. The ferrimagnetic-paramagnetic transition and tetragonal-cubic transition of MnFeO spinel occur at 100C and 180C, respectively, suggesting both the transitions are not coupled. The structure transition temperature decreases with pressure. Mssbauer experiments and neutron diffraction revealed that the Fe occupancy in tetrahedral site increases increase with pressure, suggesting MnFeO phase approaches inverse spinel. Magnetic structure refinement clarified paramagnetic and ferrimagnetic structure of MnFeO and MnFeO. These spinels transform into high-pressure orthorhombic phases at 18.4 and 14.0 GPa, respectively, indicating lower transition pressure with increasing Mn content.
Yamashita, Keishiro*; Komatsu, Kazuki*; Klotz, S.*; Fabelo, O.*; Fernndez-Daz, M. T.*; Abe, Jun*; Machida, Shinichi*; Hattori, Takanori; Irifune, Tetsuo*; Shimmei, Toru*; et al.
Proceedings of the National Academy of Sciences of the United States of America, 119(40), p.e2208717119_1 - e2208717119_6, 2022/10
Times Cited Count:2 Percentile:22.35(Multidisciplinary Sciences)Here we present the first elucidation of the disordered structure of ice VII, the dominant high-pressure form of water, at 2.2 GPa and 298 K from both single-crystal and powder neutron diffraction techniques. We reveal the three-dimensional atomic distributions from the maximum entropy method and unexpectedly find a ring-like distribution of hydrogen in contrast to the commonly-accepted discrete sites. In addition, total scattering analysis at 274 K clarified the difference in the intermolecular structure from ice VIII, the ordered counterpart of ice VII, despite an identical molecular geometry. Our complementary structure analyses robustly demonstrate the unique disordered structure of ice VII. Furthermore, these noble findings are related to the proton dynamics which drastically vary with pressure, and will contribute to an understanding of the structural origin of anomalous physical properties of ice VII under pressures.
Kobayashi, Kensuke*; Yasue, Ayumu*; Morooka, Satoshi; Kanematsu, Manabu*
Konkurito Kogaku Nenji Rombunshu (DVD-ROM), 44(1), p.208 - 213, 2022/07
no abstracts in English
Adachi, Nozomu*; Ueno, Haruki*; Morooka, Satoshi; Xu, P. G.; Todaka, Yoshikazu*
Materials, 15(13), p.4485_1 - 4485_7, 2022/07
Times Cited Count:0 Percentile:0(Chemistry, Physical)Hattori, Takanori
Yukuatsu Gijutsu, 61(7), p.29 - 35, 2022/07
As an example of the application of hydraulic technology, the 6-axis type multi-anvil press "ATSUHIME" in the J-PARC ultra-high pressure neutron diffractometer PLANET and the research on hydrogen in the Earth's core using them are introduced.