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Journal Articles

Machine learning potentials for tobermorite minerals

Kobayashi, Keita; Nakamura, Hiroki; Yamaguchi, Akiko; Itakura, Mitsuhiro; Machida, Masahiko; Okumura, Masahiko

Computational Materials Science, 188, p.110173_1 - 110173_14, 2021/02

no abstracts in English

Journal Articles

Machine-learning molecular dynamics study of thermal properties of CaF$$_2$$

Nakamura, Hiroki; Machida, Masahiko

Proceedings of Joint International Conference on Supercomputing in Nuclear Applications + Monte Carlo 2020 (SNA + MC 2020), p.104 - 108, 2020/10

JAEA Reports

Development of new corona probe

Nakamura, Masahiko; Kutsukake, Kenichi; Matsuda, Makoto

JAEA-Technology 2019-022, 20 Pages, 2020/03

JAEA-Technology-2019-022.pdf:1.73MB

The JAEA Tokai tandem accelerator (an electrostatic accelerator) has the advantage that it can accelerate an ion beam with proportional energy to its acceleration voltage. Therefore the control of an ion beam energy can be automated when the control of the acceleration voltage can be automated by using the scaling operation system: an electromagnetics proportion of optical device parameters, and the ganged control system: a synchronized controlling related devices in the JAEA Tokai Tandem accelerator control system. We should improve several devices to achieve the automatic control of the accelerator voltage. Especially, the positioning system of the corona probe which adjusts the acceleration voltage had to be automated. However the original corona probe was difficult to be applied to the automation by its poor control system and low positioning precision. We have developed the new corona probe which improved defects of the original one. The new corona probe has an automatic and high precision positioning system and enhanced maintainability by new control system, new driven system and new position detection system. We describe about the development of the new corona probe in detail.

Journal Articles

First-principles calculation of mechanical properties of simulated debris Zr$$_x$$U$$_{1-x}$$O$$_2$$

Itakura, Mitsuhiro; Nakamura, Hiroki; Kitagaki, Toru; Hoshino, Takanori; Machida, Masahiko

Journal of Nuclear Science and Technology, 56(9-10), p.915 - 921, 2019/09

 Times Cited Count:1 Percentile:65.13(Nuclear Science & Technology)

To elucidate the mechanical properties of fuel debris inside the Fukushima Daiichi Nuclear Power Plant, we use first-principles calculations to evaluate mechanical properties of cubic Zr$$_{x}$$U$$_{1-x}$$O$$_{2}$$, which is a main component of the fuel debris. We focus on the dependence of mechanical properties on the fraction x of zirconium, compare our results with recent experiment of simulated debris, in which dependences of elastic moduli and fracture toughness on the ZrO$$_{2}$$ content showed deviation from a simple linear relation. We show that elastic moduli drop at around x=0.25 and increase again for larger values of x, as has been observed in experiments. The reason of the drop is a softening owing to disordered atomistic structures induced by the solute zirconium atoms. We also find that stress-strain curves for the x=0.125 case show marked hysteresis owing to the existence of many meta-stable states. We show that this hysteresis leads to slightly increased fracture toughness, but it is not enough to account for the significant increase of fracture toughness observed in experiments.

Journal Articles

Present status of JAEA-Tokai tandem accelerator

Matsuda, Makoto; Osa, Akihiko; Ishizaki, Nobuhiro; Tayama, Hidekazu; Kabumoto, Hiroshi; Nakamura, Masahiko; Kutsukake, Kenichi; Otokawa, Yoshinori; Asozu, Takuhiro; Matsui, Yutaka; et al.

Proceedings of 16th Annual Meeting of Particle Accelerator Society of Japan (Internet), p.1270 - 1273, 2019/07

The JAEA-Tokai tandem accelerator was operated over a total of 138 days, and delivered 16 different ions to the experiments in the research fields of nuclear physics, nuclear chemistry, atomic physics, solid state physics and radiation effects in material in FY2018. Maximum acceleration voltage was 16.6 MV. A new beam attenuator was installed at the entrance beam line of the tandem accelerator to facilitate control of the beam current and minimize stripper foil consumption. The main maintenance items included replacing the pellet chain used for about 68,000 hours and the drive motor for the high voltage terminal generator used for about 9 years. A fault has occurred in the building's oxygen deficiency monitor. This paper describes the operational status of the accelerators and the major technical developments of our facility.

Journal Articles

First-principles calculation study on phonon thermal conductivity of thorium and plutonium dioxides; Intrinsic anharmonic phonon-phonon and extrinsic grain-boundary-phonon scattering effects

Nakamura, Hiroki; Machida, Masahiko

Journal of Nuclear Materials, 519, p.45 - 51, 2019/06

 Times Cited Count:0 Percentile:100(Materials Science, Multidisciplinary)

Thermal conductivity of nuclear fuel materials is one of the most essential thermophysical data in analyzing nuclear reactor safety and fuel performance. To establish a reliable technique of computation of their thermal conductivity, we apply a scheme based on first-principles electronic calculations and calculate phonon thermal conductivity of both plutonium and thorium dioxides. In the employed scheme, all phonon properties are calculated from harmonic and third-order anharmonic force constants obtained through first-principles calculations. Using these phonon properties, phonon thermal conductivity are computed with a standard phonon transport theory. The calculation results show a good agreement with experiments. Moreover, we evaluate grain-boundary effects on phonon thermal conduction. These results prove that the present first-principles scheme is reliably applicable to accurate computation of phonon thermal conductivity of fuel materials in the considered temperature range.

Journal Articles

The Surface composition of asteroid 162173 Ryugu from Hayabusa2 near-infrared spectroscopy

Kitazato, Kohei*; Milliken, R. E.*; Iwata, Takahiro*; Abe, Masanao*; Otake, Makiko*; Matsuura, Shuji*; Arai, Takehiko*; Nakauchi, Yusuke*; Nakamura, Tomoki*; Matsuoka, Moe*; et al.

Science, 364(6437), p.272 - 275, 2019/04

 Times Cited Count:102 Percentile:0.15(Multidisciplinary Sciences)

The near-Earth asteroid 162173 Ryugu, the target of Hayabusa2 sample return mission, is believed to be a primitive carbonaceous object. The Near Infrared Spectrometer (NIRS3) on Hayabusa2 acquired reflectance spectra of Ryugu's surface to provide direct measurements of the surface composition and geological context for the returned samples. A weak, narrow absorption feature centered at 2.72 micron was detected across the entire observed surface, indicating that hydroxyl (OH)-bearing minerals are ubiquitous there. The intensity of the OH feature and low albedo are similar to thermally- and/or shock-metamorphosed carbonaceous chondrite meteorites. There are few variations in the OH-band position, consistent with Ryugu being a compositionally homogeneous rubble-pile object generated from impact fragments of an undifferentiated aqueously altered parent body.

Journal Articles

Development of the ReaxFF methodology for electrolyte-water systems

Fedkin, M. V.*; Shin, Y. K.*; Dasgupta, N.*; Yeon, J.*; Zhang, W.*; van Duin, D.*; Van Duin, A. C. T.*; Mori, Kento*; Fujiwara, Atsushi*; Machida, Masahiko; et al.

Journal of Physical Chemistry A, 123(10), p.2125 - 2141, 2019/03

 Times Cited Count:7 Percentile:23.39(Chemistry, Physical)

no abstracts in English

Journal Articles

The Present conditions of the acceleration voltage after the acceleration tube update

Matsuda, Makoto; Osa, Akihiko; Ishizaki, Nobuhiro; Tayama, Hidekazu; Nakanoya, Takamitsu; Kabumoto, Hiroshi; Nakamura, Masahiko; Kutsukake, Kenichi; Otokawa, Yoshinori; Asozu, Takuhiro

JAEA-Conf 2018-003, p.126 - 131, 2019/02

no abstracts in English

Journal Articles

New antiferromagnetic order with pressure-induced superconductivity in EuFe$$_2$$As$$_2$$

Ikeda, Shugo*; Tsuchiya, Yu*; Zhang, X.-W.*; Kishimoto, Shunji*; Kikegawa, Takumi*; Yoda, Yoshitaka*; Nakamura, Hiroki; Machida, Masahiko; Glasbrenner, J.*; Kobayashi, Hisao*

Physical Review B, 98(10), p.100502_1 - 100502_6, 2018/09

 Times Cited Count:0 Percentile:100(Materials Science, Multidisciplinary)

The interplay between magnetism and superconductivity is one of important subjects to investigate the pairing mechanism in novel superconductors. We have found new coexistence between an antiferromagnetic order in the Fe sublattice and superconductivity of the FeAs-based EuFe$$_2$$As$$_2$$ superconductor in the pressure range from 2.4 to 3.0 GPa by $$^{57}$$Fe nuclear forward scattering (NFS) using a single crystal sample. The magnetic state in the Fe sublattice changes to a new antiferromagnetic one with superconductivity from a stripe-type antiferromagnetic one observed in normal conducting state at 2.7 GPa. Below the superconducting transition temperature, the temperature dependence of $$^{57}$$Fe NFS spectra reveals that the new antiferromagnetic order develops with the superconductivity. This non-trivial coupling of two ordered states in EuFe$$_2$$As$$_2$$ under pressure demonstrates a new and intriguing relationship between magnetism and superconductivity in Fe-based superconductors.

Journal Articles

Present status of JAEA-Tokai tandem accelerator

Matsuda, Makoto; Kabumoto, Hiroshi; Tayama, Hidekazu; Nakanoya, Takamitsu; Nakamura, Masahiko; Kutsukake, Kenichi; Otokawa, Yoshinori; Asozu, Takuhiro; Matsui, Yutaka; Ishizaki, Nobuhiro; et al.

Proceedings of 15th Annual Meeting of Particle Accelerator Society of Japan (Internet), p.1271 - 1275, 2018/08

The JAEA-Tokai tandem accelerator was operated over a total of 64 days, and delivered 13 different ions to the experiments in the research fields of nuclear physics, nuclear chemistry, atomic physics, solid state physics and radiation effects in material in FY2017. After the vacuum accident occurred in December 2016 the accelerating voltage dropped to 12 MV. In order to remove dust and broken carbon foil in the accelerating tube, all 80 accelerator tubes were removed and rewashed. It took 4 months for cleaning and 2 months for reassembly. Therefore about 10 months were a maintenance period of an accelerator from February 2017. Along with the reconstruction of the accelerating tube, re-alignment of the accelerating tube was carried out. The operation resumed in December 2017 and it was possible to recover the maximum voltage to 17.4 MV without beam and 16.6 MV with beam with periodic conditioning work.

Journal Articles

Present status of JAEA-Tokai tandem accelerator

Kabumoto, Hiroshi; Osa, Akihiko; Ishizaki, Nobuhiro; Tayama, Hidekazu; Matsuda, Makoto; Nakanoya, Takamitsu; Nakamura, Masahiko; Kutsukake, Kenichi; Otokawa, Yoshinori; Asozu, Takuhiro

Proceedings of 14th Annual Meeting of Particle Accelerator Society of Japan (Internet), p.1404 - 1408, 2017/12

The JAEA-Tokai tandem accelerator was operated over a total of 110 days, and delivered 22 different ions to the experiments in the research fields of nuclear physics, nuclear chemistry, atomic physics, solid state physics and radiation effects in material in FY2016. The damaged acceleration tubes by discharge were replaced with the spare tube at the regular maintenance period in March 2016, and the maximum accelerating voltage recovered to the 17 MV. However, an accident of vacuum breaking of all acceleration tubes was occurred in December, and accelerating voltage fell down to under 12 MV. Now, we are doing the maintenance to recover the performance of acceleration voltage. This paper describes the operational status of the accelerators and the major technical developments of our facility.

Journal Articles

Defect chemistry and basic properties of non-stoichiometric PuO$$_{2}$$

Kato, Masato; Nakamura, Hiroki; Watanabe, Masashi; Matsumoto, Taku; Machida, Masahiko

Defect and Diffusion Forum, 375, p.57 - 70, 2017/05

The basic properties of PuO$$_{2-x}$$ were reviewed, and the equilibrium defects in PuO$$_{2-x}$$ were evaluated from the experimental data of the oxygen potential and electrical conductivity as well as the Ab-initio calculation results. Consistency among various properties was confirmed, and the mechanistic models for thermal property representations were derived.

Journal Articles

Present status of JAEA-Tokai tandem accelerator and booster

Matsuda, Makoto; Osa, Akihiko; Ishizaki, Nobuhiro; Tayama, Hidekazu; Nakanoya, Takamitsu; Kabumoto, Hiroshi; Nakamura, Masahiko; Kutsukake, Kenichi; Otokawa, Yoshinori; Asozu, Takuhiro

Proceedings of 13th Annual Meeting of Particle Accelerator Society of Japan (Internet), p.1413 - 1417, 2016/11

The tandem accelerator was operated over a total of 140 days and delivered 22 different ions to the experiments in the fields of nuclear physics, nuclear chemistry, atomic physics, solid state physics and radiation effects in material. Maximum accelerating voltage is keeping up 18 MV and there was used for ten days on this voltage. However, electric discharge was occurred frequently in December and accelerating voltage fell to 12 MV. The damaged acceleration tubes were replaced with the spare tube at the regular maintenance period in March. The superconducting booster was not operated. This paper describes the operational status of the accelerators and the major technical developments.

Journal Articles

High-temperature properties of thorium dioxide; A First-principles molecular dynamics study

Nakamura, Hiroki; Machida, Masahiko

Journal of Nuclear Materials, 478, p.56 - 60, 2016/09

 Times Cited Count:3 Percentile:59.43(Materials Science, Multidisciplinary)

Thorium has been considered a potential nuclear fuel for decades. To develop evaluation method for high-temperature properties of thorium dioxide as a candidate nuclear fuel, we perform first-principles molecular dynamics. The calculated enthalpy and thermal expansion agree well with the observed data. The Bredig transition temperature also coincides with experiments. Our results indicate that this method can provide reliable data of thermal properties of nuclear fuels.

Journal Articles

Effect of magnetism on lattice dynamics in SrFe$$_2$$As$$_2$$ using high-resolution inelastic X-ray scattering

Murai, Naoki*; Fukuda, Tatsuo; Kobayashi, Tatsuya*; Nakajima, Masamichi*; Uchiyama, Hiroshi*; Ishikawa, Daisuke*; Tsutsui, Satoshi*; Nakamura, Hiroki; Machida, Masahiko; Miyasaka, Shigeki*; et al.

Physical Review B, 93(2), p.020301_1 - 020301_5, 2016/01

 Times Cited Count:7 Percentile:53.82(Materials Science, Multidisciplinary)

Journal Articles

Phonons of Fe-based superconductor Ca$$_{10}$$Pt$$_4$$As$$_8$$(Fe$$_{1-x}$$Pt$$_x$$As)$$_{10}$$

Ikeuchi, Kazuhiko*; Kobayashi, Yoshiaki*; Suzukia, Kazunori*; Ito, Masayuki*; Kajimoto, Ryoichi; Bourges, P.*; Christianson, A. D.*; Nakamura, Hiroki; Machida, Masahiko; Sato, Masatoshi*

Journal of Physics; Condensed Matter, 27(46), p.465701_1 - 465701_7, 2015/11

 Times Cited Count:1 Percentile:93.39(Physics, Condensed Matter)

We report the results of inelastic neutron scattering measurements on particular phonons of a superconducting (SC) Ca$$_{10}$$Pt$$_4$$As$$_8$$(Fe$$_{1-x}$$Pt$$_x$$As)$$_{10}$$ with the onset transition temperature $$T_c sim 33$$ K to investigate mainly what roles orbital fluctuation plays in Cooper pairing, where we observed a slight softening of the in-plane transverse acoustic mode corresponding to the elastic constant $$C_{66}$$. This softening starts at temperature $$T$$ well above the SC $$T_c$$, as $$T$$ decreases. An anomalously strong change of the scattering intensity of in-plane optical modes was observed at the M point of the pseudo tetragonal reciprocal space in the range of 35 $$< omega <$$ 40 meV with decreasing $$T$$ from far above $$T_c$$. Because this $$omega$$ region mainly corresponds to the motion of Fe and As atoms in the FeAs planes, the finding presents information on the coupling between the orbital fluctuation of Fe $$3d$$ electrons and the lattice system, useful for studying the possible roles of orbital fluctuation in the pairing mechanism and/or the appearance of the so-called nematic phase.

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:16 Percentile:42.36(Chemistry, Multidisciplinary)

no abstracts in English

Journal Articles

First-principles study of antimony doping effects on the iron-based superconductor CaFe(Sb$$_{x}$$As$$_{1-x}$$)$$_{2}$$

Nagai, Yuki; Nakamura, Hiroki; Machida, Masahiko; Kuroki, Kazuhiko*

Journal of the Physical Society of Japan, 84(9), p.093702_1 - 093702_4, 2015/09

 Times Cited Count:6 Percentile:46.72(Physics, Multidisciplinary)

no abstracts in English

Journal Articles

Present status of JAEA-Tokai tandem accelerator and booster

Matsuda, Makoto; Osa, Akihiko; Abe, Shinichi; Ishizaki, Nobuhiro; Tayama, Hidekazu; Nakanoya, Takamitsu; Kabumoto, Hiroshi; Nakamura, Masahiko; Kutsukake, Kenichi; Otokawa, Yoshinori; et al.

Proceedings of 12th Annual Meeting of Particle Accelerator Society of Japan (Internet), p.357 - 360, 2015/09

no abstracts in English

275 (Records 1-20 displayed on this page)