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Journal Articles

Pressure-induced elongation of hydrogen-oxygen bond in sodium silicate melts

Ohashi, Tomonori*; Sakamaki, Tatsuya*; Funakoshi, Kenichi*; Steinle-Neumann, G.*; Hattori, Takanori; Yuan, L.*; Suzuki, Akio*

Journal of Mineralogical and Petrological Sciences (Internet), 120(1), p.240926a_1 - 240926a_13, 2025/06

https://doi.org/10.2465/jmps.240926a

We explore the structures of dry and hydrated (H$$_2$$O and D$$_2$$O) Na$$_6$$Si$$_8$$O$$_{19}$$ melt at 0-6 GPa and 1000-1300 K and glasses recovered from high pressure and temperatures by in-situ neutron and X-ray diffraction. The structures of the melts at 0-10 GPa and 3000 K are also investigated by ab-initio molecular dynamics simulation. In-situ neutron experiments revealed that the D-O distance increases with compression due to the formation of -O-D-O- bridging species, which is reproduced by the molecular dynamics simulations. The pressure-induced -O-D-O- formation reflects a more rigid incorporation of hydrogen, which acts as a mechanism for the experimentally observed higher solubility of water in silicate melts. Together with shrinking modifier domains, this process dominates the compression behavior of hydrous Na$$_6$$Si$$_8$$O$$_{19}$$ melt, whereas the compression of dry Na$$_6$$Si$$_8$$O$$_{19}$$ at 0-10 GPa and 3000 K is governed largely by bending of the Si-O-Si angle. The molecular dynamics simulations on hydrous Na$$_6$$Si$$_8$$O$$_{19}$$ melts further suggest that the sodium ions are scavenged from its network-modifying role via 2($$^{[4]}$$Si-O$$^-$$ + Na$$^+$$) $$rightarrow$$ $$^{[4]}$$Si-(O-$$^{[5]}$$Si-O)$$^{2-}$$ + 2Na$$^+$$ and Si-O$$^-$$ + Na$$^+$$ + Si-OH $$rightarrow$$ Si-(O-H-O-Si)$$^-$$ + Na$$^+$$ with increasing pressure.

Journal Articles

Experimental investigation of phase transformations in steel using X-ray and neutron diffraction

Tomota, Yo*; Harjo, S.; Xu, P. G.; Morooka, Satoshi; Gong, W.; Wang, Y.*

Metals, 15(6), p.610_1 - 610_19, 2025/05

https://doi.org/10.3390/met15060610
 Times Cited Count：0

Journal Articles

Crystal structures and phase stability of antiferroelectric $$R$$ phases in undoped and Ca-modified sodium niobates

Aso, Seiyu*; Matsuo, Hiroki*; Yoneda, Yasuhiro; Morikawa, Daisuke*; Tsuda, Kenji*; Oyama, Kenji*; Ishigaki, Toru*; Noguchi, Yuji*

Physical Review B, 111(17), p.174114_1 - 174114_12, 2025/05

https://doi.org/10.1103/PhysRevB.111.174114

We investigate the crystal structures, phase transitions, and phase stability of undoped and Ca-modified NaNbO$$_{3}$$ through a combined analysis of high-resolution synchrotron radiation X-ray and neutron diffraction, convergent-beam electron diffraction, and density functional theory (DFT) calculations. It is demonstrated that the antiferroelectric (AFE)-$$R$$ phase is stabilized over a wide temperature range of 200 to 800 K by Ca modification, and that the NaNbO$$_3$$ is stabilized by temperature-driven isostatic pressure accompanied by lattice expansion, whereas the Ca-modified NaNbO$$_3$$ is induced by composition-induced chemical pressure along with lattice shrinkage.

Journal Articles

Crystal structures of ReO$$_3$$ under hydrostatic pressure; A Combined neutron, X-ray, Raman, and first-principles calculation study

Efthimiopoulos, I.*; Klotz, S.*; Kunc, K.*; Baptiste, B.*; Chauvigne, P.*; Hattori, Takanori

Physical Review B, 111(13), p.134103_1 - 134103_13, 2025/04

https://doi.org/10.1103/PhysRevB.111.134103
 Times Cited Count：0 Percentile：0.00(Materials Science, Multidisciplinary)

We present a comprehensive study of the high pressure behaviour of ReO$$_3$$ using X-ray and neutron diffraction, Raman scattering and first-principles calculations to 15 GPa. We show that the ambient pressure $$Pm$$$=3$m$$ structure converts at 0.7 GPa in a continuous phase transition directly to a cubic phase with space group $$Im$$$=3 which is then stable up to at least 15 GPa. We show that previous reports of monoclinic $C2/c$$ and rhombohedral $$R$$$=3$c$$ structures in this pressure range are an artifact due to an alteration of the sample by high-flux synchrotron X-ray radiation. The structural pressure dependence of the $$Im$$$=3 phase is reported as well as the precise equation of state. Raman scattering data of both natural and isotopically enriched $^{18}$$O samples are presented. The data shed light onto the unusual transition and densification mechanism due to progressive tilting of essentially rigid ReO$$_6$$ octahedra.

Journal Articles

Directional vector-based quick evaluation method for protective plate effects in X-ray fluoroscopy (DQPEX)

Hizukuri, Kyoko*; Fujibuchi, Toshio*; Han, D.*; Arakawa, Hiroyuki*; Furuta, Takuya

Radiological Physics and Technology, 18(1), p.196 - 208, 2025/03

https://doi.org/10.1007/s12194-024-00873-z

One of the radiation protection measures for medical personnel engaged in X-ray fluoroscopy is the use of radiation-protective plates and a simulation tool to evaluate effect of the plates is desired. Monte Carlo simulation has an advantage of being able to accurately calculate the interaction between radiations and various objects present in the X-ray room. However, Monte Carlo simulation has a disadvantage of being computationally time-consuming. Therefore, we developed a new simplified method to calculate the dose distribution in a short time with the presence of protective plates using pre-computed directional vectors (SCV). Using the Monte Carlo code PHITS, we simulated the ambient dose equivalent distribution the X-ray fluoroscopy room without the presence of protective plates. Assuming the dose at each voxel was all contributed from radiations in the direction indicated by the directional vector, the shielding effect of the protective plates for the dose at the voxel was determined whether the line toward backtrace of the directional vector has a intersect with the protective plate or not. With SCV, the computational time for the whole dose distribution with the presence of a protective plate was reduced approximately 1/6000 of the full PHITS simulation keeping the good accuracy to evaluate the effect of the plate.

Journal Articles

Germanene reformation from oxidized germanene on Ag(111)/Ge(111) by vacuum annealing

Suzuki, Seiya; Katsube, Daiki*; Yano, Masahiro; Tsuda, Yasutaka; Terasawa, Tomoo; Ozawa, Takahiro*; Fukutani, Katsuyuki; Kim, Y.*; Asaoka, Hidehito; Yuhara, Junji*; et al.

Small Methods, 9(3), p.2400863_1 - 2400863_9, 2025/03

https://doi.org/10.1002/smtd.202400863
 Times Cited Count：1 Percentile：30.18(Chemistry, Physical)

Journal Articles

Organization of malonamides from the interface to the organic bulk phase

Micheau, C.; Ueda, Yuki; Motokawa, Ryuhei; Akutsu, Kazuhiro*; Yamada, Norifumi*; Yamada, Masako*; Moussaoui, S. A.*; Makombe, E.*; Meyer, D.*; Berthon, L.*; et al.

Journal of Molecular Liquids, 401, p.124372_1 - 124372_12, 2024/05

https://doi.org/10.1016/j.molliq.2024.124372
 Times Cited Count：2 Percentile：60.60(Chemistry, Physical)

Journal Articles

Atomic position and the chemical state of an active Sn dopant for Sn-doped $$beta$$-Ga$$_{2}$$O$$_{3}$$(001)

Tsai, Y. H.*; Kobata, Masaaki; Fukuda, Tatsuo; Tanida, Hajime; Kobayashi, Toru; Yamashita, Yoshiyuki*

Applied Physics Letters, 124(11), p.112105_1 - 112105_5, 2024/03

https://doi.org/10.1063/5.0198160
 Times Cited Count：2 Percentile：57.35(Physics, Applied)

Journal Articles

Synthesis, crystal structure, local structure, and magnetic properties of polycrystalline and single-crystalline Ce$$_2$$Pt$$_6$$Al$$_{15}$$

Ota, Kyugo*; Watabe, Yuki*; Haga, Yoshinori; Iesari, F.*; Okajima, Toshihiko*; Matsumoto, Yuji*

Symmetry (Internet), 15(8), p.1488_1 - 1488_13, 2023/07

https://doi.org/10.3390/sym15081488
 Times Cited Count：2 Percentile：37.80(Multidisciplinary Sciences)

Journal Articles

Deformation mechanism of a strong and ductile maraging steel investigated using ${it in situ}$ X-ray synchrotron diffraction

Li, H.*; Liu, Y.*; Zhao, W.*; Liu, B.*; Tominaga, Aki; Shobu, Takahisa; Wei, D.*

International Journal of Plasticity, 165, p.103612_1 - 103612_20, 2023/06

https://doi.org/10.1016/j.ijplas.2023.103612
 Times Cited Count：27 Percentile：94.81(Engineering, Mechanical)

In order to clarify the strength properties of Co-free maraging steel, ${it in situ}$ tensile experiment using high energy synchrotron X-ray diffraction was performed. Diffraction profiles from the martensitic and austenitic phases were obtained, and their strength and width were observed to vary as loading. Analysis of the diffraction profiles showed that the content of martensite in the as-aged material decreased slowly at low stress levels and decreased rapidly at high stress levels. On the other hand, the austenite phase in the as-solution materials was significantly transformed the martensite phase as the stress increased. It was clarified to be responsible for their respective strength properties.

Journal Articles

Data processing and visualization of X-ray computed tomography images of a JOYO MK-III fuel assembly

Tsai, T.-H.; Sasaki, Shinji; Maeda, Koji

Journal of Nuclear Science and Technology, 60(6), p.715 - 723, 2023/06

https://doi.org/10.1080/00223131.2022.2138603
 Times Cited Count：1 Percentile：14.04(Nuclear Science & Technology)

Journal Articles

Relationship between internal stress distribution and microstructure in a suspension-sprayed thermal barrier coating with a columnar structure

Yamazaki, Yasuhiro*; Shinomiya, Keisuke*; Okumura, Tadaharu*; Suzuki, Kenji*; Shobu, Takahisa; Nakamura, Yuiga*

Quantum Beam Science (Internet), 7(2), p.14_1 - 14_12, 2023/05

https://doi.org/10.3390/qubs7020014

Journal Articles

Automatic object recognition using deep learning for legacy waste treatment

Yoshida, Yukihiko

IL Nuovo Cimento, 46(2), p.33_1 - 33_8, 2023/03

https://doi.org/10.1393/ncc/i2023-23033-x

Journal Articles

Selective adsorption of Pd(II) over Ag(I) in nitric acid solutions using nitrogen-donor-type adsorbents

Suzuki, Tomoya*; Otsubo, Ukyo*; Ogata, Takeshi*; Shiwaku, Hideaki; Kobayashi, Toru; Yaita, Tsuyoshi; Matsuoka, Mitsuaki*; Murayama, Norihiro*; Narita, Hirokazu*

Separation and Purification Technology, 308, p.122943_1 - 122943_7, 2023/03

https://doi.org/10.1016/j.seppur.2022.122943
 Times Cited Count：3 Percentile：15.39(Engineering, Chemical)

HNO$$_{3}$$ leaching is used in recycling Pd metal from spent products that primarily contain Ag, and most Pd residues are separated from solutions containing Ag(I). However, a small amount of Pd(II) often remains in these Ag(I) solutions. Therefore, the separation of Pd(II) and Ag(I) in HNO$$_{3}$$ solutions is essential to promote efficient Pd recycling. In this study, the separation of Pd(II) and Ag(I) in HNO$$_{3}$$ solutions was investigated using four N-donor-type adsorbents functionalized with amine (R-Amine), iminodiacetic acid (R-IDA), pyridine (R-Py), or bis-picolylamine (R-BPA). R-Amine, R-IDA, and R-Py selectively adsorbed Pd(II) over Ag(I), Cu(II), Ni(II), and Fe(III) from HNO$$_{3}$$ solutions (0.3-7 M), but R-Amine exhibited a lower Pd adsorption efficiency. In contrast, $$>$$90% of Pd(II), Ag(I), and Cu(II) were adsorbed by R-BPA over the entire range of HNO$$_{3}$$ concentrations. Structural analyses of the adsorbed metal ions using Fourier transform infrared spectroscopy and extended X-ray absorption fine structure spectroscopy revealed the separation mechanisms of the N-donor-type adsorbents. Pd(II) adsorption on R-IDA, R-Py, and R-BPA occurred via Pd(II) coordination of the functional groups (iminodiacetic acid, pyridine, and bis-picolylamine, respectively), whereas that on R-Amine occurred via anion exchange of NO$$_{3}$$$$^{-}$$ with [Pd(NO$$_{3}$$)$$_{4}$$]$$^{2-}$$. The coordinative adsorption mechanisms resulted in the higher Pd(II) adsorption behaviors of R-IDA, R-Py, and R-BPA. HCl (5.0 M) and thiourea (0.1 M) eluents desorbed 83% of Pd(II) from R-IDA and 95% from R-Py, respectively. R-Py was the most effective Pd(II) adsorbent based on adsorption selectivity and desorption efficiency.

Journal Articles

Insight on the mechanical properties of hierarchical porous calcium-silicate-hydrate pastes according to the Ca/Si molar ratio using ${it in situ}$ synchrotron X-ray scattering and nanoindentation test

Im, S.*; Jee, H.*; Suh, H.*; Kanematsu, Manabu*; Morooka, Satoshi; Choe, H.*; Nishio, Yuhei*; Machida, Akihiko*; Kim, J.*; Lim, S.*; et al.

Construction and Building Materials, 365, p.130034_1 - 130034_18, 2023/02

https://doi.org/10.1016/j.conbuildmat.2022.130034
 Times Cited Count：17 Percentile：77.68(Construction & Building Technology)

Journal Articles

Micro- to nano-scale areal heterogeneity in pore structure and mineral compositions of a sub-decimeter-sized Eagle Ford Shale

Wang, Q.*; Hu, Q.*; Zhao, C.*; Yang, X.*; Zhang, T.*; Ilavsky, J.*; Kuzmenko, I.*; Ma, B.*; Tachi, Yukio

International Journal of Coal Geology, 261, p.104093_1 - 104093_15, 2022/09

https://doi.org/10.1016/j.coal.2022.104093
 Times Cited Count：12 Percentile：69.82(Energy & Fuels)

Journal Articles

Study on the relation between the crystal structure and thermal stability of FeUO$$_{4}$$ and CrUO$$_{4}$$

Akiyama, Daisuke*; Kusaka, Ryoji; Kumagai, Yuta; Nakada, Masami; Watanabe, Masayuki; Okamoto, Yoshihiro; Nagai, Takayuki; Sato, Nobuaki*; Kirishima, Akira*

Journal of Nuclear Materials, 568, p.153847_1 - 153847_10, 2022/09

https://doi.org/10.1016/j.jnucmat.2022.153847
 Times Cited Count：4 Percentile：51.78(Materials Science, Multidisciplinary)

FeUO$$_{4}$$, CrUO$$_{4}$$, and Fe$$_{x}$$Cr$$_{1-x}$$UO$$_{4}$$ are monouranates containing pentavalent U. Even though these compounds have similar crystal structures, their formation conditions and thermal stability are significantly different. To determine the factors causing the difference in thermal stability between FeUO$$_{4}$$ and CrUO$$_{4}$$, their crystal structures were evaluated in detail. A Raman band was observed at 700 cm$$^{-1}$$ in all the samples. This Raman band was derived from the stretching vibration of the O-U-O axis band, indicating that Fe$$_{x}$$Cr$$_{1-x}$$UO$$_{4}$$ was composed of a uranyl-like structure in its lattice regardless of its "x"' value. M$"o$ssbauer measurements indicated that the Fe in FeUO$$_{4}$$ and Fe$$_{x}$$Cr$$_{1-x}$$UO$$_{4}$$ were trivalent. Furthermore, Fe$$_{x}$$Cr$$_{1-x}$$UO$$_{4}$$ lost its symmetry around Fe$$^{mathrm{III}}$$ with increasing electron densities around Fe$$^{mathrm{III}}$$, as the abundance of Cr increased. These results suggested no significant structural differences between FeUO$$_{4}$$ and CrUO$$_{4}$$. Thermogravimetric measurements for UO$$_{2}$$, FeUO$$_{4}$$, and CrUO$$_{4}$$ showed that the temperature at which FeUO$$_{4}$$ decomposed under an oxidizing condition (approximately 800 $$^{circ}$$C) was significantly lower than the temperature at which the decomposition of CrUO$$_{4}$$ started (approximately 1250 $$^{circ}$$C). Based on these results, we concluded that the decomposition of FeUO$$_{4}$$ was triggered by an "in-crystal" redox reaction, i.e., Fe$$^{mathrm{III}}$$ $${+}$$ U$$^{mathrm{V}}$$ $$rightarrow$$ Fe$$^{mathrm{II}}$$ $${+}$$ U$$^{mathrm{VI}}$$, which would not occur in the CrUO$$_{4}$$ lattice because Cr$$^{mathrm{III}}$$ could never be reduced under the investigated condition. Finally, the existence of Cr$$^{mathrm{III}}$$ in FexCr$$_{1-x}$$UO$$_{4}$$ effectively suppressed the decomposition of the Fe$$_{x}$$Cr$$_{1-x}$$UO$$_{4}$$ crystal, even at a very low Cr content.

Journal Articles

Experimental evaluation of scattered X-ray spectra due to X-ray therapeutic and diagnosis equipment for eye lens dosimetry of medical staff

Kowatari, Munehiko*; Nagamoto, Keisuke*; Nakagami, Koichi*; Tanimura, Yoshihiko; Moritake, Takashi*; Kunugita, Naoki*

Journal of Radiation Protection and Research, 47(1), p.39 - 49, 2022/03

https://doi.org/10.14407/jrpr.2021.00220

Journal Articles

Temperature effects on local structure, phase transformation, and mechanical properties of calcium silicate hydrates

Im, S.*; Jee, H.*; Suh, H.*; Kanematsu, Manabu*; Morooka, Satoshi; Koyama, Taku*; Nishio, Yuhei*; Machida, Akihiko*; Kim, J.*; Bae, S.*

Journal of the American Ceramic Society, 104(9), p.4803 - 4818, 2021/09

https://doi.org/10.1111/jace.17881
 Times Cited Count：26 Percentile：83.08(Materials Science, Ceramics)

Journal Articles

A Multi-technique tomography-based approach for non-invasive characterization of additive manufacturing components in view of vacuum/UHV applications; Preliminary results

Grazzi, F.*; Cialdai, C.*; Manetti, M.*; Massi, M.*; Morigi, M. P.*; Bettuzzi, M.*; Brancaccio, R.*; Albertin, F.*; Shinohara, Takenao; Kai, Tetsuya; et al.

Rendiconti Lincei. Scienze Fisiche e Naturali, 32(3), p.463 - 477, 2021/09

https://doi.org/10.1007/s12210-021-00994-2
 Times Cited Count：6 Percentile：28.63(Multidisciplinary Sciences)

279 (Records 1-20 displayed on this page)