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Journal Articles

Dynamic interaction between dislocations and obstacles in BCC iron based on atomic potentials derived using neural networks

Mori, Hideki*; Tsuru, Tomohito; Okumura, Masahiko; Matsunaka, Daisuke*; Shiihara, Yoshinori*; Itakura, Mitsuhiro

Physical Review Materials (Internet), 7(6), p.063605_1 - 063605_8, 2023/06

The introduction of obstacles (e.g., precipitates) for controlling dislocation motion in molecular structures is a prevalent method for designing the mechanical strength of metals. Owing to the nanoscale size of the dislocation core ($$leq$$ 1 nm), atomic modeling is required to investigate the interactions between the dislocation and obstacles. However, conventional empirical potentials are not adequately accurate, in contrast to the calculations based on density functional theory (DFT). Therefore, the atomic-level details of the interactions between the dislocations and obstacles remain unclarified. To this end, this study applied an artificial neural network (ANN) framework to construct an atomic potential by leveraging the high accuracy of DFT. Using the constructed ANN potential, we investigated the dynamic interaction between the $$(a_0/2){110}$$ edge dislocation and obstacles in BCC iron. When the dislocation crossed the void, an ultrasmooth and symmetric half-loop was observed for the bowing-out dislocation. Except for the screw dislocation, the Peierls stress of all the dislocations predicted using the ANN was less than 100 MPa. More importantly, the results confirmed the formation of an Orowan loop in the interaction between a rigid sphere and dislocation. Furthermore, we discovered a phenomenon in which the Orowan loop disintegrated into two small loops during its interaction with the rigid sphere and dislocation.

Journal Articles

Artificial neural network molecular mechanics of iron grain boundaries

Shiihara, Yoshinori*; Kanazawa, Ryosuke*; Matsunaka, Daisuke*; Lobzenko, I.; Tsuru, Tomohito; Koyama, Masanori*; Mori, Hideki*

Scripta Materialia, 207, p.114268_1 - 114268_4, 2022/01

 Times Cited Count:7 Percentile:71.37(Nanoscience & Nanotechnology)

This study reports grain boundary (GB) energy calculations for 46 symmetric-tilt GBs in $$alpha$$-iron using molecular mechanics based on an artificial neural network (ANN) potential and compares the results with calculations based on the density functional theory (DFT), the embedded atom method (EAM), and the modified EAM (MEAM). The results by the ANN potential are in excellent agreement with those of the DFT (5% on average), while the EAM and MEAM significantly differ from the DFT results (about 27% on average). In a uniaxial tensile calculation of GB, the ANN potential reproduced the brittle fracture tendency of the GB observed in the DFT while the EAM and MEAM mistakenly showed ductile behaviors. These results demonstrate the effectiveness of the ANN potential in calculating grain boundaries of iron, which is in high demand in modern industry.

Journal Articles

High-spin states in $$^{35}$$S

Go, Shintaro*; Ideguchi, Eiji*; Yokoyama, Rin*; Aoi, Nori*; Azaiez, F.*; Furutaka, Kazuyoshi; Hatsukawa, Yuichi; Kimura, Atsushi; Kisamori, Keiichi*; Kobayashi, Motoki*; et al.

Physical Review C, 103(3), p.034327_1 - 034327_8, 2021/03

 Times Cited Count:4 Percentile:58.42(Physics, Nuclear)

Journal Articles

Production of $$^{266}$$Bh in the $$^{248}$$Cm($$^{23}$$Na,5$$n$$)$$^{266}$$Bh reaction and its decay properties

Haba, Hiromitsu*; Fan, F.*; Kaji, Daiya*; Kasamatsu, Yoshitaka*; Kikunaga, Hidetoshi*; Komori, Yukiko*; Kondo, Narumi*; Kudo, Hisaaki*; Morimoto, Koji*; Morita, Kosuke*; et al.

Physical Review C, 102(2), p.024625_1 - 024625_12, 2020/08

 Times Cited Count:6 Percentile:60.4(Physics, Nuclear)

Journal Articles

How different is the core of $$^{25}$$F from $$^{24}$$O$$_{g.s.}$$ ?

Tang, T. L.*; Uesaka, Tomohiro*; Kawase, Shoichiro; Beaumel, D.*; Dozono, Masanori*; Fujii, Toshihiko*; Fukuda, Naoki*; Fukunaga, Taku*; Galindo-Uribarri, A.*; Hwang, S. H.*; et al.

Physical Review Letters, 124(21), p.212502_1 - 212502_6, 2020/05

 Times Cited Count:14 Percentile:74.77(Physics, Multidisciplinary)

The structure of a neutron-rich $$^{25}$$F nucleus is investigated by a quasifree ($$p,2p$$) knockout reaction. The sum of spectroscopic factors of $$pi 0d_{5/2}$$ orbital is found to be 1.0 $$pm$$ 0.3. The result shows that the $$^{24}$$O core of $$^{25}$$F nucleus significantly differs from a free $$^{24}$$O nucleus, and the core consists of $$sim$$35% $$^{24}$$O$$_{rm g.s.}$$, and $$sim$$65% excited $$^{24}$$O. The result shows that the $$^{24}$$O core of $$^{25}$$F nucleus significantly differs from a free $$^{24}$$O nucleus. The result may infer that the addition of the $$0d_{5/2}$$ proton considerably changes the neutron structure in $$^{25}$$F from that in $$^{24}$$O, which could be a possible mechanism responsible for the oxygen dripline anomaly.

Journal Articles

X-ray and neutron study on the structure of hydrous SiO$$_{2}$$ glass up to 10 GPa

Urakawa, Satoru*; Inoue, Toru*; Hattori, Takanori; Sano, Asami; Kohara, Shinji*; Wakabayashi, Daisuke*; Sato, Tomoko*; Funamori, Nobumasa*; Funakoshi, Kenichi*

Minerals (Internet), 10(1), p.84_1 - 84_13, 2020/01

 Times Cited Count:7 Percentile:65.28(Geochemistry & Geophysics)

The structure of hydrous amorphous SiO$$_{2}$$ is fundamental to investigate the effects of water on the physicochemical properties of oxide glasses and magma. The hydrous SiO$$_{2}$$ glass with 13 wt.% D$$_{2}$$O was synthesized under high-pressure and high-temperature conditions and its structure was investigated by small angle X-ray scattering, X-ray diffraction, and neutron diffraction experiments at pressures of up to 10 GPa and room temperature. This hydrous glass is separated into a SiO$$_{2}$$ rich major phase and a D$$_{2}$$O rich minor phase. Medium-range order of the hydrous glass shrinks compared to the anhydrous SiO$$_{2}$$ glass due to disruption of SiO$$_{4}$$ linkage by formation of Si-OD deuterioxyl, while the pressure response is similar. Most of D$$_{2}$$O molecules are in the small domains and hardly penetrate into SiO$$_{2}$$ major phase.

Journal Articles

Synthesis of new perovskite-type oxyfluorides, BaInO$$_{2}$$F and comparison of the structure among perovskite-type oxyfluorides

Katsumata, Tetsuhiro*; Suzuki, Ryo*; Sato, Naoto*; Suzuki, Shumpei*; Nakashima, Mamoru*; Inaguma, Yoshiyuki*; Mori, Daisuke*; Aimi, Akihisa*; Yoneda, Yasuhiro

Journal of Solid State Chemistry, 279, p.120919_1 - 120919_8, 2019/11

 Times Cited Count:7 Percentile:48.4(Chemistry, Inorganic & Nuclear)

Journal Articles

Relation between the structure and tolerance factor for perovskite-type oxyfluorides

Katsumata, Tetsuhiro*; Inaguma, Nobuyuki*; Mori, Daisuke*; Aimi, Akihisa*; Yoneda, Yasuhiro

Seramikkusu, 54(9), p.629 - 632, 2019/09

Crystal structure analysis of ABO$$_3$$ perovskite-type oxyfluoride were performed by using high-energy synchrotron X-ray measurement. The effect of tolerance factor appeared in the local structure. The average structure of perovskite-type oxyfluoride found to be a cubic structure in the traditional crystal structure analysis.

Journal Articles

Extraction behavior of Mo and W from H$$_{2}$$SO$$_{4}$$ and HF/HCl solutions into toluene with Aliquat336; Sulfate and fluoride complex formation of Mo and W towards chemical studies of seaborgium (Sg)

Toyoshima, Atsushi; Mitsukai, Akina; Tsukada, Kazuaki; Oe, Kazuhiro*; Haba, Hiromitsu*; Komori, Yukiko*; Murakami, Masashi; Kaneya, Yusuke*; Sato, Daisuke*; Asai, Masato; et al.

Journal of Radioanalytical and Nuclear Chemistry, 317(1), p.421 - 430, 2018/07

 Times Cited Count:1 Percentile:11.6(Chemistry, Analytical)

We have studied extraction behavior of group-6 elements Mo and W to search for suitable conditions for an on-line extraction experiment of their heavier homolog, seaborgium (Sg). Batch-wise extraction of carrier-free radiotracers $$^{93m}$$Mo and $$^{177,179,181}$$W were carried out from 0.10 - 8.6 M H$$_{2}$$SO$$_{4}$$ and 1.0$$times$$10$$^{-4}$$ - 5.0 M HF/1.0 M HCl into toluene with a quaternary ammonium compound, Aliquat336. Anionic sulfate complexes of Mo and W with charge - 2 were extracted with Aliquat336 from H$$_{2}$$SO$$_{4}$$ solutions with concentrations of [H$$_{2}$$SO$$_{4}$$] $$>$$ 2 M. In HF/1.0 M HCl, oxyfluoro complexes of Mo and W with charge - 1 were interpreted to be formed and extracted with Aliquat336. From these results, favorable conditions for the extraction of Sg are discussed.

Journal Articles

Simultaneous analysis of silicon and boron dissolved in water by combination of electrodialytic salt removal and ion-exclusion chromatography with corona charged aerosol detection

Mori, Masanobu*; Sagara, Katsuya*; Arai, Kaori*; Nakatani, Nobutake*; Ohira, Shinichi*; Toda, Kei*; Itabashi, Hideyuki*; Kozaki, Daisuke*; Sugo, Yumi; Watanabe, Shigeki; et al.

Journal of Chromatography A, 1431, p.131 - 137, 2016/01

 Times Cited Count:10 Percentile:41.95(Biochemical Research Methods)

Journal Articles

ROSA/LSTF tests and RELAP5 posttest analyses for PWR safety system using steam generator secondary-side depressurization against effects of release of nitrogen gas dissolved in accumulator water

Takeda, Takeshi; Onuki, Akira*; Kanamori, Daisuke*; Otsu, Iwao

Science and Technology of Nuclear Installations, 2016, p.7481793_1 - 7481793_15, 2016/00

AA2016-0048.pdf:5.15MB

 Times Cited Count:1 Percentile:10.78(Nuclear Science & Technology)

Journal Articles

Synthesis, direct formation under high pressure, structure, and electronic properties of LiNbO$$_{3}$$-type oxide PbZnO$$_{3}$$

Mori, Daisuke*; Tanaka, Kie*; Saito, Hiroyuki; Kikegawa, Takumi*; Inaguma, Yoshiyuki*

Inorganic Chemistry, 54(23), p.11405 - 11410, 2015/12

 Times Cited Count:25 Percentile:80.69(Chemistry, Inorganic & Nuclear)

Journal Articles

TRAIL-R2 superoligomerization induced by human monoclonal agonistic antibody KMTR2

Tamada, Taro; Shinmi, Daisuke*; Ikeda, Masahiro*; Yonezawa, Yasushi*; Kataoka, Shiro*; Kuroki, Ryota; Mori, Eiji*; Motoki, Kazuhiro*

Scientific Reports (Internet), 5, p.17936_1 - 17936_12, 2015/12

 Times Cited Count:22 Percentile:63.8(Multidisciplinary Sciences)

The fully human monoclonal antibody KMTR2 acts as a strong direct agonist for tumor necrosis factor-related apoptosis-inducing ligand (TRAIL) receptor 2 (TRAIL-R2), which is capable of inducing apoptotic cell death without cross-linking. To investigate the mechanism of direct agonistic activity induced by KMTR2, the crystal structure of the extracellular region of TRAIL-R2 and a Fab fragment derived from KMTR2 (KMTR2-Fab) was determined to 2.1 ${AA}$ resolution. Two KMTR2-Fabs assembled with the complementarity-determining region 2 of the light chain via two-fold crystallographic symmetry, suggesting that the KMTR2-Fab assembly tended to enhance TRAIL-R2 oligomerization. A single mutation at Asn53 to Arg located at the two-fold interface in the KMTR2 resulted in a loss of its apoptotic activity, although it retained its antigen-binding activity. These results indicate that the strong agonistic activity, such as apoptotic signaling and tumor regression, induced by KMTR2 is attributed to TRAIL-R2 superoligomerization induced by the interdimerization of KMTR2.

Journal Articles

Melting of Pb charge glass and simultaneous Pb-Cr charge transfer in PbCrO$$_{3}$$ as the origin of volume collapse

Yu, R.*; Hojo, Hajime*; Watanuki, Tetsu; Mizumaki, Masaichiro*; Mizokawa, Takashi*; Oka, Kengo*; Kim, H.*; Machida, Akihiko; Sakaki, Koji*; Nakamura, Yumiko*; et al.

Journal of the American Chemical Society, 137(39), p.12719 - 12728, 2015/10

 Times Cited Count:33 Percentile:69.49(Chemistry, Multidisciplinary)

no abstracts in English

Journal Articles

Experiments of coolant accumulation in SG U tube and analytical model development

Yamaji, Tatsuya*; Koizumi, Yasuo; Yamazaki, Kohei*; Otake, Hiroyasu*; Hasegawa, Koji*; Onuki, Akira*; Kanamori, Daisuke*

Konsoryu Shimpojiumu 2015 Koen Rombunshu (USB Flash Drive), 2 Pages, 2015/08

Experiments of condensing counter-current two-phase flow in a vertical pipe were performed. This study was intended to examine water accumulation in the up-flow side of steam generator U-tubes of a PWR during the reflux cooling stage of a small break LOCA. It has been apprehended that the water accumulation may result in temporary core liquid level depression. The inner diameter and the length of a test flow channel used in the experiments were 18 mm and 4 m, respectively. The experiments were performed by using steam and water at 0.1 MPa. Two kinds of experiments were conducted; visualization experiments by using a transparent test section and quantitative water accumulation evaluation experiments by using a brass test section. Even if water on the inner surface of the test pipe could not flow downward at the lower portion of the test pipe, a part of water became to flow downward at the upper portion of the test pipe since steam velocity decreased because of condensation. Thus, two-phase mixture level was formed in the upper portion of the test pipe, which resulted in the water accumulation in the pipe. The model to predict the water accumulation was proposed. It predicted the water accumulation reasonably well.

Journal Articles

Thickness-dependent magnetic properties and strain-induced orbital magnetic moment in SrRuO$$_{3}$$ thin films

Ishigami, Keisuke*; Yoshimatsu, Kohei*; Toyota, Daisuke*; Takizawa, Masaru*; Yoshida, Teppei*; Shibata, Goro*; Harano, Takayuki*; Takahashi, Yukio*; Kadono, Toshiharu*; Verma, V. K.*; et al.

Physical Review B, 92(6), p.064402_1 - 064402_5, 2015/08

 Times Cited Count:42 Percentile:83.69(Materials Science, Multidisciplinary)

Journal Articles

Precise determination of $$^{12}_{Lambda}$$C level structure by $$gamma$$-ray spectroscopy

Hosomi, Kenji; Ma, Y.*; Ajimura, Shuhei*; Aoki, Kanae*; Dairaku, Seishi*; Fu, Y.*; Fujioka, Hiroyuki*; Futatsukawa, Kenta*; Imoto, Wataru*; Kakiguchi, Yutaka*; et al.

Progress of Theoretical and Experimental Physics (Internet), 2015(8), p.081D01_1 - 081D01_8, 2015/08

 Times Cited Count:14 Percentile:66.75(Physics, Multidisciplinary)

Level structure of the $$^{12}_{Lambda}$$C hypernucleus was precisely determined by means of $$gamma$$-ray spectroscopy. We identified four $$gamma$$-ray transitions via the $$^{12}$$C$$(pi^{+},K^{+}gamma)$$ reaction using a germanium detector array, Hyperball2. The spacing of the ground-state doublet $$(2^{-}, 1^{-}_{1})$$ was measured to be $$161.5pm0.3$$(stat)$$pm0.3$$ (syst)keV from the direct $$M1$$ transition. Excitation energies of the $$1^{-}_{2}$$ and $$1^{-}_{3}$$ states were measured to be $$2832pm3pm4$$, keV and $$6050pm8pm7$$, keV, respectively. The obtained level energies provide definitive references for the reaction spectroscopy of $$Lambda$$ hypernuclei.

Journal Articles

Superdeformation in $$^{35}$$S

Go, Shintaro*; Ideguchi, Eiji*; Yokoyama, Rin*; Kobayashi, Motoki*; Kisamori, Keiichi*; Takaki, Motonobu*; Miya, Hiroyuki*; Ota, Shinsuke*; Michimasa, Shinichiro*; Shimoura, Susumu*; et al.

JPS Conference Proceedings (Internet), 6, p.030005_1 - 030005_4, 2015/06

Journal Articles

Development of a new continuous dissolution apparatus with a hydrophobic membrane for superheavy element chemistry

Oe, Kazuhiro*; Attallah, M. F.*; Asai, Masato; Goto, Naoya*; Gupta, N. S.*; Haba, Hiromitsu*; Huang, M.*; Kanaya, Jumpei*; Kaneya, Yusuke*; Kasamatsu, Yoshitaka*; et al.

Journal of Radioanalytical and Nuclear Chemistry, 303(2), p.1317 - 1320, 2015/02

 Times Cited Count:8 Percentile:61(Chemistry, Analytical)

A new technique for continuous dissolution of nuclear reaction products transported by a gas-jet system was developed for superheavy element (SHE) chemistry. In this technique, a hydrophobic membrane is utilized to separate an aqueous phase from the gas phase. With this technique, the dissolution efficiencies of short-lived radionuclides of $$^{91m,93m}$$Mo and $$^{176}$$W were measured. Yields of more than 80% were observed for short-lived radionuclides at aqueous-phase flow rates of 0.1-0.4 mL/s. The gas flow-rate had no influence on the dissolution efficiency within the studied flow range of 1.0-2.0 L/min. These results show that this technique is applicable for on-line chemical studies of SHEs in the liquid phase.

JAEA Reports

Hydrochemical investigation at the Mizunami Underground Research Laboratory; Compilation of groundwater chemistry data in the Mizunami group and the Toki granite (fiscal year 2013)

Omori, Kazuaki; Hasegawa, Takashi; Munemoto, Takashi; Masuda, Kaoru*; Aosai, Daisuke*; Inui, Michiharu*; Iwatsuki, Teruki

JAEA-Data/Code 2014-019, 121 Pages, 2014/12

JAEA-Data-Code-2014-019.pdf:56.12MB

Japan Atomic Energy Agency has been investigating the groundwater chemistry on excavating the underground facilities as part of the Mizunami Underground research Laboratory (MIU) Project at Mizunami City, Gifu Prefecture, Japan. In this report, we compiled data obtained by geochemical research for groundwater at the MIU in the fiscal year 2013.

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