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Journal Articles

Experimental analysis on dynamics of liquid molecules adjacent to particles in nanofluids

Hashimoto, Shunsuke*; Nakajima, Kenji; Kikuchi, Tatsuya*; Kamazawa, Kazuya*; Shibata, Kaoru; Yamada, Takeshi*

Journal of Molecular Liquids, 342, p.117580_1 - 117580_8, 2021/11

 Times Cited Count:0

Quasi-elastic neutron scattering (QENS) and pulsed-field-gradient nuclear magnetic resonance (PFGNMR) analyses of a nanofluid composed of silicon dioxide (SiO$$_{2}$$) nanoparticles and a base fluid of ethylene glycol aqueous solution were performed. The aim was to elucidate the mechanism increase in the thermal conductivity of the nanofluid above its theoretical value. The obtained experimental results indicate that SiO$$_{2}$$ particles may decrease the self-diffusion coefficient of the liquid molecules in the ethylene glycol aqueous solution because of their highly restricted motion around these nanoparticles. At a constant temperature, the thermal conductivity increases as the self-diffusion coefficient of the liquid molecules decreases in the SiO$$_{2}$$ nanofluids.

Journal Articles

Quartz cell for a backscattering spectrometer

Tominaga, Taiki*; Kawakita, Yukinobu; Nakagawa, Hiroshi; Yamada, Takeshi*; Shibata, Kaoru

JPS Conference Proceedings (Internet), 33, p.011086_1 - 011086_5, 2021/03

We developed a quartz double cylindrical sample cell optimized for a backscattering neutron spectrometer, especially for BL02 (DNA), MLF in J-PARC. A quartz glass tube, with one end closed, is shaved to obtain a wall thickness of 0.55 mm. The inner tube is properly centered using a protrusion into the outer tube such that the interstice between the outer and inner tubes keeps constant. This quartz cell can be used for samples that should not be in contact with the aluminum surface. We verified cell's background effect between the quartz cell and Al cell by QENS measurements using D$$_{2}$$O buffer. The elastic intensity profiles of the buffer in a low Q region were identical between both quartz cell and Al cell (A1070). In a high Q region, however, the profiles were different caused by the first sharp diffraction peak of quartz glass. For this region the data should be analyzed by consideration of absorption correction and diffraction in individual thickness of quartz cell.

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:6 Percentile:81.96(Chemistry, Physical)

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:0.01(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

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:27.91(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

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:0.01(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

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:13.74(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

Neutron scattering studies on short- and long-range layer structures and related dynamics in imidazolium-based ionic liquids

Nemoto, Fumiya*; Kofu, Maiko; Nagao, Michihiro*; Oishi, Kazuki*; Takata, Shinichi; Suzuki, Junichi*; Yamada, Takeshi*; Shibata, Kaoru; Ueki, Takeshi*; Kitazawa, Yuzo*; et al.

Journal of Chemical Physics, 149(5), p.054502_1 - 054502_11, 2018/08

 Times Cited Count:12 Percentile:72.95(Chemistry, Physical)

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:8 Percentile:51.6(Chemistry, Physical)

Journal Articles

Diffusion behavior of methanol molecules confined in cross-linked phenolic resins studied using neutron scattering and molecular dynamics simulations

Shudo, Yasuyuki*; Izumi, Atsushi*; Hagita, Katsumi*; Yamada, Takeshi*; Shibata, Kaoru; Shibayama, Mitsuhiro*

Macromolecules, 51(16), p.6334 - 6343, 2018/08

 Times Cited Count:9 Percentile:49.31(Polymer Science)

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:31.92(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.

Journal Articles

Liquid-like thermal conduction in intercalated layered crystalline solids

Li, B.; Wang, H.*; Kawakita, Yukinobu; Zhang, Q.*; Feygenson, M.*; Yu, H. L.*; Wu, D.*; Ohara, Koji*; Kikuchi, Tatsuya*; Shibata, Kaoru; et al.

Nature Materials, 17(3), p.226 - 230, 2018/03

 Times Cited Count:71 Percentile:96.98(Chemistry, Physical)

Journal Articles

The Implementation of the dynamics analysis spectrometer DNA; The Pedigree of the backscattering neutron spectrometer

Shibata, Kaoru

Hamon, 28(1), p.26 - 28, 2018/02

We briefly introduce the pedigree of the backscattering neutron spectrometer and the specification of DNA; a time-of-flight (TOF) type near-backscattering spectrometer (n-BSS), with Si crystal analyzers which was constructed at the Materials and Life Science Experimental Facility (MLF) of the Japan Proton Accelerator Research Complex (J-PARC).

Journal Articles

Neutron scattering study of yttrium iron garnet

Shamoto, Shinichi; Ito, Takashi; Onishi, Hiroaki; Yamauchi, Hiroki; Inamura, Yasuhiro; Matsuura, Masato*; Akatsu, Mitsuhiro*; Kodama, Katsuaki; Nakao, Akiko*; Moyoshi, Taketo*; et al.

Physical Review B, 97(5), p.054429_1 - 054429_9, 2018/02

 Times Cited Count:10 Percentile:63.24(Materials Science, Multidisciplinary)

Nuclear and magnetic structure and full magnon dispersions of yttrium iron garnet Y$$_3$$Fe$$_5$$O$$_{12}$$ have been studied by neutron scattering. The lowest-energy dispersion below 14 meV exhibits a quadratic dispersion as expected from ferromagnetic magnons. The imaginary part of $$q$$-integrated dynamical spin susceptibility $$chi$$"($$E$$) exhibits a square-root energy-dependence in the low energies. The magnon density of state is estimated from the $$chi$$"($$E$$) obtained on an absolute scale. The value is consistent with a single chirality mode for the magnon branch expected theoretically.

Journal Articles

Experimental investigation of the glass transition of polystyrene thin films in a broad frequency range

Inoue, Rintaro*; Kanaya, Toshiji*; Yamada, Takeshi*; Shibata, Kaoru; Fukao, Koji*

Physical Review E, 97(1), p.012501_1 - 012501_6, 2018/01

 Times Cited Count:8 Percentile:75.32(Physics, Fluids & Plasmas)

In this study, we investigate the $$alpha$$ process of a polystyrene thin film using inelastic neutron scattering (INS), dielectric relaxation spectroscopy (DRS), and thermal expansion spectroscopy (TES). The DRS and TES measurements exhibited a decrease in glass transition temperature ($$T_{rm g}$$) with film thickness. On the other hand, an increase in $$T_{rm g}$$ was observed in INS studies. In order to interpret this contradiction, we investigated the temperature dependence of the peak frequency ($$f_{rm m}$$) of the $$alpha$$ process probed by DRS and TES. The experiments revealed an increase in the peak frequency ($$f_{rm m}$$) with decreasing film thickness in the frequency region. This observation is consistent with the observed decrease in $$T_{rm g}$$ with thickness. The discrepancy between INS and DRS or TES descriptions of the $$alpha$$ process is likely to be attributed to a decrease in the apparent activation energy with film thickness and reduced mobility, due to the impenetrable wall effect.

Journal Articles

Materials and Life Science Experimental Facility (MLF) at the Japan Proton Accelerator Research Complex, 2; Neutron scattering instruments

Nakajima, Kenji; Kawakita, Yukinobu; Ito, Shinichi*; Abe, Jun*; Aizawa, Kazuya; Aoki, Hiroyuki; Endo, Hitoshi*; Fujita, Masaki*; Funakoshi, Kenichi*; Gong, W.*; et al.

Quantum Beam Science (Internet), 1(3), p.9_1 - 9_59, 2017/12

The neutron instruments suite, installed at the spallation neutron source of the Materials and Life Science Experimental Facility (MLF) at the Japan Proton Accelerator Research Complex (J-PARC), is reviewed. MLF has 23 neutron beam ports and 21 instruments are in operation for user programs or are under commissioning. A unique and challenging instrumental suite in MLF has been realized via combination of a high-performance neutron source, optimized for neutron scattering, and unique instruments using cutting-edge technologies. All instruments are/will serve in world-leading investigations in a broad range of fields, from fundamental physics to industrial applications. In this review, overviews, characteristic features, and typical applications of the individual instruments are mentioned.

Journal Articles

Materials and Life Science Experimental Facility at the Japan Proton Accelerator Research Complex, 3; Neutron devices and computational and sample environments

Sakasai, Kaoru; Sato, Setsuo*; Seya, Tomohiro*; Nakamura, Tatsuya; To, Kentaro; Yamagishi, Hideshi*; Soyama, Kazuhiko; Yamazaki, Dai; Maruyama, Ryuji; Oku, Takayuki; et al.

Quantum Beam Science (Internet), 1(2), p.10_1 - 10_35, 2017/09

Neutron devices such as neutron detectors, optical devices including supermirror devices and $$^{3}$$He neutron spin filters, and choppers are successfully developed and installed at the Materials Life Science Facility (MLF) of the Japan Proton Accelerator Research Complex (J-PARC), Tokai, Japan. Four software components of MLF computational environment, instrument control, data acquisition, data analysis, and a database, have been developed and equipped at MLF. MLF also provides a wide variety of sample environment options including high and low temperatures, high magnetic fields, and high pressures. This paper describes the current status of neutron devices, computational and sample environments at MLF.

Journal Articles

Polar rotor scattering as atomic-level origin of low mobility and thermal conductivity of perovskite CH$$_{3}$$NH$$_{3}$$PbI$$_{3}$$

Li, B.; Kawakita, Yukinobu; Liu, Y.*; Wang, M.*; Matsuura, Masato*; Shibata, Kaoru; Kawamura, Seiko; Yamada, Takeshi*; Lin, S.*; Nakajima, Kenji; et al.

Nature Communications (Internet), 8, p.16086_1 - 16086_9, 2017/06

 Times Cited Count:52 Percentile:91.93(Multidisciplinary Sciences)

Journal Articles

Inelastic and quasi-elastic neutron scattering spectrometers in J-PARC

Seto, Hideki; Ito, Shinichi; Yokoo, Tetsuya*; Endo, Hitoshi*; Nakajima, Kenji; Shibata, Kaoru; Kajimoto, Ryoichi; Kawamura, Seiko; Nakamura, Mitsutaka; Kawakita, Yukinobu; et al.

Biochimica et Biophysica Acta; General Subjects, 1861(1), p.3651 - 3660, 2017/01

 Times Cited Count:21 Percentile:80.69(Biochemistry & Molecular Biology)

J-PARC, Japan Proton Accelerator Research Complex provides short pulse proton beam at a repetition rate 25 Hz and the maximum power is expected to be 1 MW. Materials and Life Science Experimental Facility (MLF) has 23 neutron beam ports and 21 instruments have already been operated or under construction / commissioning. There are 6 inelastic / quasi-elastic neutron scattering spectrometers and the complementary use of these spectrometers will open new insight for life science.

Journal Articles

Dynamical behavior of human $$alpha$$-synuclein studied by quasielastic neutron scattering

Fujiwara, Satoru; Araki, Katsuya*; Matsuo, Tatsuhito; Yagi, Hisashi*; Yamada, Takeshi*; Shibata, Kaoru; Mochizuki, Hideki*

PLOS ONE (Internet), 11(4), p.e0151447_1 - e0151447_17, 2016/04

 Times Cited Count:18 Percentile:67.4(Multidisciplinary Sciences)

163 (Records 1-20 displayed on this page)