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Journal Articles

Nanoscale relaxation in "Water-in-Salt" and "Water-in-Bisalt" electrolytes

Gonzal$'e$z, M. A.*; Borodin, O.*; Kofu, Maiko; Shibata, Kaoru; Yamada, Takeshi*; Yamamuro, Osamu*; Xu, K.*; Price, D. L.*; Saboungi, M.-L.*

Journal of Physical Chemistry Letters (Internet), 11(17), p.7279 - 7284, 2020/09

 Times Cited Count:0 Percentile:100(Chemistry, Physical)

JAEA Reports

Survey of computational methods of cross sections for thermal neutron scattering by liquids

Ichihara, Akira

JAEA-Review 2019-046, 36 Pages, 2020/03


Toward the revision of JENDL-4.0, we conducted a literature survey on how to compute the cross section of thermal neutrons scattered by a liquid. This report summarizes the computational methods for evaluating thermal neutron cross sections with molecular dynamics simulations. The cross section can be expressed with a function called as scattering law. For light and heavy water, the scattering law data instead of the cross sections have been provided in nuclear databases. In this report we review the formulations of the scattering laws. The scattering laws can be derived from both the intermediate scattering function and the space-time correlation function. Features of the derived scattering laws are briefly explained. It is shown that the scattering law data can be evaluated using a molecular dynamics simulation of the liquid that is the target of thermal neutrons.

JAEA Reports

Development of technology to prevent scattering of radioactive materials in fuel debris retrieval (Contract research); FY2018 Center of World Intelligence Project for Nuclear Science/Technology and Human Resource Development

Collaborative Laboratories for Advanced Decommissioning Science; The University of Tokyo*

JAEA-Review 2019-037, 90 Pages, 2020/03


JAEA/CLADS, had been conducting the Center of World Intelligence Project for Nuclear Science/Technology and Human Resource Development (hereafter referred to "the Project") in FY2018. The Project aims to contribute to solving problems in nuclear energy field represented by the decommissioning of the Fukushima Daiichi Nuclear Power Station, Tokyo Electric Power Company Holdings, Inc. For this purpose, intelligence was collected from all over the world, and basic research and human resource development were promoted by closely integrating/collaborating knowledge and experiences in various fields beyond the barrier of conventional organizations and research fields. The sponsor of the Project was moved from the Ministry of Education, Culture, Sports, Science and Technology to JAEA since the newly adopted proposals in FY2018. On this occasion, JAEA constructed a new research system where JAEA-academia collaboration is reinforced and medium-to-long term research/development and human resource development contributing to the decommissioning are stably and consecutively implemented. Among the adopted proposals in FY2018, this report summarizes the research results of the "Development of Technology to Prevent Scattering of Radioactive Materials in Fuel Debris Retrieval". The objective of the present study is to clarify the behavior of microparticles in gas and liquid phases in order to steadily confine radioactive microparticles at the time of debris retrieval in Fukushima Daiichi Nuclear Power Station. In addition, as measures to prevent scattering, we will evaluate and develop methods by experiments and simulation as to; (1) a method to suppress the scattering with minimum amount of water utilizing water spray etc., and (2) a method to suppress the scattering by solidifying fuel debris.

Journal Articles

Compton scattering of quasi-monochromatic $$gamma$$-ray beam

Omer, M.; Shizuma, Toshiyuki*; Hajima, Ryoichi*

Nuclear Instruments and Methods in Physics Research A, 951, p.162998_1 - 162998_6, 2020/01

 Times Cited Count:0 Percentile:100(Instruments & Instrumentation)

Journal Articles

Segmental motions of proteins under non-native states evaluated using quasielastic neutron scattering

Fujiwara, Satoru*; Matsuo, Tatsuhito*; Sugimoto, Yasunobu*; Shibata, Kaoru

Journal of Physical Chemistry Letters (Internet), 10(23), p.7505 - 7509, 2019/12

 Times Cited Count:0 Percentile:100(Chemistry, Physical)

Characterization of the dynamics of disordered polypeptide chains is required to elucidate the behavior of intrinsically disordered proteins and proteins under non-native states related to the folding process. Here we develop a method using quasielastic neutron scattering, combined with small-angle X-ray scattering and dynamic light scattering, to evaluate segmental motions of proteins as well as diffusion of the entire molecules and local side-chain motions. We apply this method to RNase A under the unfolded and molten-globule (MG) states. The diffusion coefficients arising from the segmental motions are evaluated and found to be different between the unfolded and MG states. The values obtained here are consistent with those obtained using the fluorescence-based techniques. These results demonstrate not only feasibility of this method but also usefulness to characterize the behavior of proteins under various disordered states.

Journal Articles

Validating polarization effects in $$gamma$$-rays elastic scattering by Monte Carlo simulation

Omer, M.; Hajima, Ryoichi*

New Journal of Physics (Internet), 21(11), p.113006_1 - 113006_10, 2019/11

 Times Cited Count:3 Percentile:39.76(Physics, Multidisciplinary)

Journal Articles

Dynamic properties of human $$alpha$$-synuclein related to propensity to amyloid fibril formation

Fujiwara, Satoru*; Kono, Fumiaki*; Matsuo, Tatsuhito*; Sugimoto, Yasunobu*; Matsumoto, Tomoharu*; Narita, Tetsuhiro*; Shibata, Kaoru

Journal of Molecular Biology, 431(17), p.3229 - 3245, 2019/08

 Times Cited Count:3 Percentile:55.89(Biochemistry & Molecular Biology)

$$alpha$$-synuclein ($$alpha$$Syn) is an intrinsically disordered protein (IDP) with unknown function. $$alpha$$Syn is known to form amyloid fibrils, which are implicated with the pathogenesis of Parkinson's disease and other synucleinopathies. Elucidating the mechanism of fibril formation of $$alpha$$Syn is therefore important for understanding the mechanism of the pathogenesis of these diseases. Here, using the quasielastic neutron scattering (QENS) and small-angle X-ray scattering (SAXS) techniques, we investigated the dynamic and structural properties of $$alpha$$Syn. These results imply that fibril formation of $$alpha$$Syn requires not only the enhanced local motions but also the segmental motions such that the proper inter-molecular interactions are possible.

Journal Articles

Local structure of functional solids

Shamoto, Shinichi

Journal of the Physical Society of Japan, 88(8), p.081008_1 - 081008_11, 2019/08

 Times Cited Count:1 Percentile:70.77(Physics, Multidisciplinary)

Journal Articles

Measurement of neutron scattering cross section of nano-diamond with particle diameter of approximately 5 nm in energy range of 0.2 meV to 100 meV

Teshigawara, Makoto; Tsuchikawa, Yusuke*; Ichikawa, Go*; Takata, Shinichi; Mishima, Kenji*; Harada, Masahide; Oi, Motoki; Kawamura, Yukihiko*; Kai, Tetsuya; Kawamura, Seiko; et al.

Nuclear Instruments and Methods in Physics Research A, 929, p.113 - 120, 2019/06

 Times Cited Count:4 Percentile:17.98(Instruments & Instrumentation)

A nano-diamond is an attractive neutron reflection material below cold neutron energy. The total neutron cross section of a nano-diamond was derived from a neutron transmission measurement over the neutron energy range of 0.2 meV to 100 meV because total neutron cross section data were not available. The total cross section of a nano-diamond with particle size of approximately 5 nm increased with a decrease in neutron energy to 0.2 meV. It was approximately two orders of magnitude larger than that of graphite at 0.2 meV. The contribution of inelastic scattering to the total cross section was to be shown negligible small at neutron energies of 1.2, 1.5, 1.9, 2.6, and 5.9 meV in the inelastic neutron scattering measurement. Moreover, small-angle neutron scattering measurements of the nano-diamond showed a large scattering cross section in the forward direction for low neutron energies.

Journal Articles

Cryogenic sample environments shared at the MLF, J-PARC

Kawamura, Seiko; Takahashi, Ryuta*; Ishikado, Motoyuki*; Yamauchi, Yasuhiro*; Nakamura, Masatoshi*; Ouchi, Keiichi*; Kira, Hiroshi*; Kambara, Wataru*; Aoyama, Kazuhiro*; Sakaguchi, Yoshifumi*; et al.

Journal of Neutron Research, 21(1-2), p.17 - 22, 2019/05

The Cryogenics and Magnets group in the Sample Environment team is responsible for operation of cryostats and magnets for user's experiments at the MLF in J-PARC. We have introduced a top-loading $$^4$$He cryostat, a bottom-loading $$^3$$He cryostat, a dilution refrigerator insert and a superconducting magnet. The frequency of use of them dramatically becomes higher in these two years, as the beam power and the number of proposal increase. To respond such situation, we have made efforts to enhance performance of these equipment as follows. The $$^3$$He cryostat originally involves an operation software for automatic initial cooling down to the base temperature and automatic re-charge of $$^3$$He. Recently we made an additional program for automatic temperature control with only the sorb heater. Last year, a new outer vacuum chamber of the magnet with an oscillating radial collimator (ORC) was fabricated. The data quality was drastically improved by introducing this ORC so that the magnet can be used even for the inelastic neutron scattering experiments.

Journal Articles

Electronic structure in heavy fermion compound UPd$$_2$$Al$$_3$$ through directional Compton profile measurement

Koizumi, Akihisa*; Kubo, Yasunori*; Yamamoto, Etsuji; Haga, Yoshinori; Sakurai, Yoshiharu*

Journal of the Physical Society of Japan, 88(3), p.034714_1 - 034714_6, 2019/03

 Times Cited Count:0 Percentile:100(Physics, Multidisciplinary)

Journal Articles

Quasielastic neutron scattering of brucite to analyse hydrogen transport on the atomic scale

Okuchi, Takuo*; Tomioka, Naotaka*; Purevjav, N.*; Shibata, Kaoru

Journal of Applied Crystallography, 51, p.1564 - 1570, 2018/12

 Times Cited Count:0 Percentile:100(Chemistry, Multidisciplinary)

It is demonstrated that quasielastic neutron scattering (QENS) is a novel and effective method to analyse atomic scale hydrogen transport processes occurring within a mineral crystal lattice. The method was previously characterized as sensitive for analysing the transport frequency and distance of highly diffusive hydrogen atoms or water molecules in condensed matter. Here are shown the results of its application to analyse the transport of much slower hydrogen atoms which are bonded into a crystal lattice as hydroxyls. Two types of hydrogen transport process were observed in brucite, Mg(OH)$$_{2}$$ : a jump within a single two-dimensional layer of the hydrogen lattice and a jump into the next nearest layer of it. These transport processes observed within the prototypical structure of brucite have direct implications for hydrogen transport phenomena occurring within various types of oxides and minerals having layered structures.

Journal Articles

Localized 5$$f^2$$ states in UPd$$_5$$Al$$_2$$ and valence crossover in the Vicinity of Heavy-Fermion superconductivity

Metoki, Naoto; Haga, Yoshinori; Yamamoto, Etsuji; Matsuda, Masaaki*

Journal of the Physical Society of Japan, 87(11), p.114712_1 - 114712_9, 2018/11

 Times Cited Count:2 Percentile:64.56(Physics, Multidisciplinary)

The localized 5$$f$$ states with 5$$f^2$$ ($$^3H_4$$) configuration of U$$^{4+}$$ ion have been revealed in UPd$$_5$$Al$$_2$$. We found that the low-lying states are the same as PrPd$$_5$$Al$$_2$$ flat orbitals with large $$J_z$$ are stabilized by a two-dimensional CEF potential in the unique crystal structure. The present study involves the valence crossover from tetravalent to trivalent in a series of AnPd$$_5$$Al$$_2$$, demonstrated by lattice and/or transport anomaly as well as many body effects in the vicinity of the boundary. The valence instability plays important role for the unusual heavy fermion superconductivity in NpPd$$_5$$Al$$_2$$.

Journal Articles

Thermal behavior, structure, dynamic properties of aqueous glycine solutions confined in mesoporous silica MCM-41 investigated by X-ray diffraction and quasi-elastic neutron scattering

Yoshida, Koji*; Inoue, Takuya*; Torigoe, Motokatsu*; Yamada, Takeshi*; Shibata, Kaoru; Yamaguchi, Toshio*

Journal of Chemical Physics, 149(12), p.124502_1 - 124502_10, 2018/09

 Times Cited Count:2 Percentile:91.81(Chemistry, Physical)

Differential scanning calorimetry, X-ray diffraction, and quasi-elastic neutron scattering (QENS) measurements of aqueous glycine solutions confined in mesoporous silica (MCM-41) were performed at different glycine concentrations, pH, and loading ratio (= mass of glycine solution / mass of dry MCM-41) in the temperature range from 305 to 180 K to discuss the confinement effect on the thermal behavior, the structure, and the dynamic properties of the solutions.

Journal Articles

$$f$$-electron states in PrPd$$_5$$Al$$_2$$

Metoki, Naoto; Yamauchi, Hiroki; Suzuki, Hiroyuki*; Kitazawa, Hideaki*; Hagihala, Masato*; Masuda, Takatsugu*; Aczel, A. A.*; Chi, S.*; Hong, T.*; Matsuda, Masaaki*; et al.

Journal of the Physical Society of Japan, 87(9), p.094704_1 - 094704_8, 2018/09

 Times Cited Count:5 Percentile:38.93(Physics, Multidisciplinary)

The $$f$$-electron states of PrPd$$_5$$Al$$_2$$ were revealed by neutron inelastic scattering. The flat $$f$$-orbitals with large $$J_z$$ become stable under the two-dimensional CEF potential of unique crystal structure, which is the origin of the Ising anisotropy. A systematic understanding is possible in RPd$$_5$$Al$$_2$$ based on this CEF potential. Especially the $$XY$$-type anisotropy in NpPd$$_5$$Al$$_2$$ can be qualitatively understood with the positive Stevens factors. It mean that the local property is important for the physical properties of RPd$$_5$$Al$$_2$$ including the heavy fermion superconductivity in NpPd$$_5$$Al$$_2$$.

Journal Articles

Dynamic properties of nano-confined water in an ionic liquid

Abe, Hiroshi*; Yamada, Takeshi*; Shibata, Kaoru

Journal of Molecular Liquids, 264, p.54 - 57, 2018/08

 Times Cited Count:6 Percentile:44.27(Chemistry, Physical)

Journal Articles

Neutron inelastic scattering study of the $$f$$-electron states in NdPd$$_5$$Al$$_2$$

Metoki, Naoto; Yamauchi, Hiroki; Suzuki, Hiroyuki*; Kitazawa, Hideaki*; Kamazawa, Kazuya*; Ikeuchi, Kazuhiko*; Kajimoto, Ryoichi; Nakamura, Mitsutaka; Inamura, Yasuhiro

Journal of the Physical Society of Japan, 87(8), p.084708_1 - 084708_7, 2018/08

 Times Cited Count:5 Percentile:38.93(Physics, Multidisciplinary)

Inelastic neutron scattering experiments were carried out in order to study the $$f$$-electron states of NdPd$$_5$$Al$$_2$$The CEF levels at 0K, 35.4K, 88.3K, 101.5K, and 198.8K were clarified from the excitation spectra. The $$Gamma_6$$ ground state contains the orbital with $$J_z=pm9/2$$ as a main component due to a large negative B$$_{20}=-1.4$$K, which is the origin of the strong uniaxial anisotropy. The estimated magnetic moment, the calculated susceptibility, magnetization curve, and specific heat are in good agreement with the experimental data. The existence of a common charge distribution with CePd$$_5$$Al$$_2$$ and PrPd$$_5$$Al$$_2$$. Indicates that a localized character is important even in actinide-based iso-structural compounds as actually observed in UPd$$_5$$Al$$_2$$ and also NpPd$$_5$$Al$$_2$$, in which the valence crossover plays important role for the heavy fermion superconductivity.

JAEA Reports

Geant4 physics process for elastic scattering of $$gamma$$-rays

Omer, M.; Hajima, Ryoichi*

JAEA-Data/Code 2018-007, 32 Pages, 2018/06


Nuclear resonance fluorescence (NRF) is a promising technique for the non-destructive assay (NDA) of nuclear materials. Its powerfulness is apparent in the highly penetrative $$gamma$$-rays emitted in an isotopic fingerprint of the NRF interactions. However; there exist other interactions that may interfere with the NRF and hence, may limit its accuracy. Of these interactions is the elastic scattering of $$gamma$$-rays by atoms which needs further investigation and testing. Japan Atomic Energy Agency started in 2015 to develop a NDA system based on the NRF for nuclear non-proliferation and nuclear security purposes. One of the tasks of the current development is assessing the effect of the elastic scattering of $$gamma$$-rays on NRF measurement. A new simulation code for the elastic scattering of $$gamma$$-rays has recently been developed in the Geant4 environment. The present JAEA-Data/Code report provides a more detailed description of the simulation code as well as an elaborated illustration of the elastic scattering of $$gamma$$-rays and its interaction cross sections. This report facilitates user feedback of the simulation code which is indispensable for reaching a stable and reliable simulation. The current report would contribute to better understanding of the elastic scattering of $$gamma$$-rays. This research was implemented under the subsidiary for nuclear security promotion of MEXT.

Journal Articles

Inelastic X-ray scattering of $$RT$$Al$$_3$$ ($$R$$ = La, Ce, $$T$$ = Cu, Au)

Tsutsui, Satoshi*; Kaneko, Koji; Pospisil, J.; Haga, Yoshinori

Physica B; Condensed Matter, 536, p.24 - 27, 2018/05

 Times Cited Count:0 Percentile:100(Physics, Condensed Matter)

Journal Articles

Dynamic of organic species in organo-clay/polypropyrene composite by quesi-elastic neutron scattering

Fukushima, Yoshiaki*; Yamada, Takeshi*; Tamura, Kenji*; Shibata, Kaoru

Applied Clay Science, 155, p.15 - 19, 2018/04

 Times Cited Count:4 Percentile:57.34(Chemistry, Physical)

Dynamics of a fluoromica (ME100) cation exchanged for dioctadecyl dimethyl ammonium ion (DODA$$^{+}$$)/ polypropylene composite was analyzed by quasi elastic neutron scattering (QENS), besides XRD and DSC. The QENS spectra for the DODA-ME100 at low Q=2.75 nm$$^{-1}$$ were not changed even at temperature higher than 445 K, the melting point of DODA$$^{+}$$. The results suggested the long range ($$>$$ 2 nm) molecular motions in interlayer space are restricted due to the rigid silicate layers and the strong electrostatic interaction between DODA$$^{+}$$ and the ME100. Elastic intensity scan results suggested that a little amount of motion of the polymer chains in the composite was also restricted in the molten state at 445 K. The QENS is expected to be one of the useful tools for studying the composite materials.

286 (Records 1-20 displayed on this page)