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Hashimoto, Shunsuke*; Yamaguchi, Satoshi*; Harada, Masashi*; Nakajima, Kenji; Kikuchi, Tatsuya*; Oishi, Kazuki*
Journal of Colloid and Interface Science, 638, p.475 - 486, 2023/05
Times Cited Count:2 Percentile:55.84(Chemistry, Physical)Recently, it has been reported that anomalous improvement in the thermal conductivity of nanofluid composed of base liquids and dispersed solid nanoparticles, compared to the theoretically predicted value calculated from the particle fraction. Generally, the thermal conductivity values of gases and liquids are dominated by the mean free path of the molecules during translational motion. Herein, we present solid evidence showing the possible contribution of the vibrational behavior of liquid molecules around nanoparticles to increasing these thermal conductivities.
Otsuka, Yusuke*; Kanazawa, Naoya*; Hirayama, Motoaki*; Matsui, Akira*; Nomoto, Takuya*; Arita, Ryotaro*; Nakajima, Taro*; Hanashima, Takayasu*; Ukleev, V.*; Aoki, Hiroyuki; et al.
Science Advances (Internet), 7(47), p.eabj0498_1 - eabj0498_9, 2021/11
Times Cited Count:8 Percentile:54.61(Multidisciplinary Sciences)Okuma, Ryutaro*; Kofu, Maiko; Asai, Shinichiro*; Avdeev, M.*; Koda, Akihiro*; Okabe, Hirotaka*; Hiraishi, Masatoshi*; Takeshita, Soshi*; Kojima, Kenji*; Kadono, Ryosuke*; et al.
Nature Communications (Internet), 12, p.4382_1 - 4382_7, 2021/07
Times Cited Count:7 Percentile:63.72(Multidisciplinary Sciences)Wu, P.*; Fan, F.-R.*; Hagihara, Masato*; Kofu, Maiko; Peng, K.*; Ishikawa, Yoshihisa*; Lee, S.*; Honda, Takashi*; Yonemura, Masao*; Ikeda, Kazutaka*; et al.
New Journal of Physics (Internet), 22(8), p.083083_1 - 083083_9, 2020/08
Times Cited Count:9 Percentile:60.75(Physics, Multidisciplinary)Thermoelectric material SnSe has aroused world-wide interests in the past years, and its inherent strong lattice anharmonicity is regarded as a crucial factor for its outstanding thermoelectric performance. However, the understanding of lattice anharmonicity in SnSe system remains inadequate, especially regarding how phonon dynamics are affected by this behavior. In this work, we present a comprehensive study of lattice dynamics on NaSn
Se
S
by means of neutron total scattering, inelastic neutron scattering, Raman spectroscopy as well as frozen-phonon calculations. Lattice anharmonicity is evidenced by pair distribution function, inelastic neutron scattering and Raman measurements. By separating the effects of thermal expansion and multi-phonon scattering, we found that the latter is very significant in high-energy optical phonon modes. The strong temperature-dependence of these phonon modes indicate the anharmonicity in this system. Moreover, our data reveals that the linewidths of high-energy optical phonons become broadened with mild doping of sulfur. Our studies suggest that the thermoelectric performance of SnSe could be further enhanced by reducing the contributions of high-energy optical phonon modes to the lattice thermal conductivity via phonon engineering.
Iida, Kazuki*; Yoshida, Hiroyuki*; Nakao, Akiko*; Jeschke, H. O.*; Iqbal, Y.*; Nakajima, Kenji; Kawamura, Seiko; Munakata, Koji*; Inamura, Yasuhiro; Murai, Naoki; et al.
Physical Review B, 101(22), p.220408_1 - 220408_6, 2020/06
Times Cited Count:22 Percentile:80.37(Materials Science, Multidisciplinary)Crystal and magnetic structures of the mineral centennialite CaCu(OD)
Cl
0.6D
O are investigated by means of synchrotron X-ray diffraction and neutron diffraction measurements complemented by density functional theory (DFT) and pseudofermion functional renormalization group (PFFRG) calculations. In CaCu
(OD)
Cl
0.6D
O, Cu
ions form a geometrically perfect kagome network with antiferromagnetic
. No intersite disorder between Cu
and Ca
ions is detected. CaCu
(OD)
Cl
0.6D
O enters a magnetic long-range ordered state below
= 7.2 K, and the
=0 magnetic structure with negative vector spin chirality is obtained. The ordered moment at 0.3 K is suppressed to 0.58(2)
B. Our DFT calculations indicate the presence of antiferromagnetic
and ferromagnetic
superexchange couplings of a strength which places the system at the crossroads of three magnetic orders (at the classical level) and a spin-
PFFRG analysis shows a dominance of
=0 type magnetic correlations, consistent with and indicating proximity to the observed
=0 spin structure. The results suggest that this material is located close to a quantum critical point and is a good realization of a
-
-
kagome antiferromagnet.
Ueda, Hiroshi*; Onoda, Shigeki*; Yamaguchi, Yasuhiro*; Kimura, Tsuyoshi*; Yoshizawa, Daichi*; Morioka, Toshiaki*; Hagiwara, Masayuki*; Hagihara, Masato*; Soda, Minoru*; Masuda, Takatsugu*; et al.
Physical Review B, 101(14), p.140408_1 - 140408_6, 2020/04
Times Cited Count:4 Percentile:25.35(Materials Science, Multidisciplinary)Yasuda, Satoshi; Tamura, Kazuhisa; Terasawa, Tomoo; Yano, Masahiro; Nakajima, Hideaki*; Morimoto, Takahiro*; Okazaki, Toshiya*; Agari, Ryushi*; Takahashi, Yasufumi*; Kato, Masaru*; et al.
Journal of Physical Chemistry C, 124(9), p.5300 - 5307, 2020/03
Times Cited Count:14 Percentile:58.54(Chemistry, Physical)Confinement of hydrogen molecules at graphene-substrate interface has presented significant importance from the viewpoints of development of fundamental understanding of two-dimensional material interface and energy storage system. In this study, we investigate H confinement at a graphene-Au interface by combining selective proton permeability of graphene and the electrochemical hydrogen evolution reaction (electrochemical HER) method. After HER on a graphene/Au electrode in protonic acidic solution, scanning tunneling microscopy finds that H
nanobubble structures can be produced between graphene and the Au surface. Strain analysis by Raman spectroscopy also shows that atomic size roughness on the graphene/Au surface originating from the HER-induced strain relaxation of graphene plays significant role in formation of the nucleation site and H
storage capacity.
Oishi, Tomoji*; Kimura, Yu*; Nakajima, Kiyohiko*; Watanabe, Masayuki; Aoyagi, Noboru
Materials Sciences and Applications, 11(3), p.195 - 203, 2020/03
A high-efficiency synthesis method for a latent pigment of red pigment diketo-pyrrolo-pyrrole (Pig. Red 272:272DPP), which is important as a functional organic pigment, was investigated, and the investigation results revealed that irradiation of microwaves (MWs) for several seconds to 272 DPP in NMP (N-methyl-2-pyrrolidone) solvent yielded DPP latent pigment (272DPP-BOC) at a high yield of 86.2%. Two kinds of latent-pigment crystals, namely, red and yellow, were obtained by recrystallization, and it was found that the fluorescence-emission properties of the two kinds differ significantly. Single-crystal X-ray structural analysis showed that the difference in the fluorescence-emission properties of the two types is derived from the difference in their crystal structures.
Iwasaki, Toshiki*; Sekiyama, Tsuyoshi*; Nakajima, Teruyuki*; Watanabe, Akira*; Suzuki, Yasushi*; Kondo, Hiroaki*; Morino, Yu*; Terada, Hiroaki; Nagai, Haruyasu; Takigawa, Masayuki*; et al.
Atmospheric Environment, 214, p.116830_1 - 116830_11, 2019/10
Times Cited Count:6 Percentile:25.16(Environmental Sciences)The utilization of numerical atmospheric dispersion prediction (NDP) models for accidental discharge of radioactive substances was recommended by a working group of the Meteorological Society of Japan. This paper is to validate the recommendation through NDP model intercomparison in the accidental release from the Fukushima Dai-ichi Nuclear Power Plant in 2011. Emission intensity is assumed to be constant during the whole forecast period for the worst-case scenario unless time sequence of emission is available. We expect to utilize forecasts of surface air contaminations for preventions of inhalations of radioactive substances, and column-integrated amounts for mitigation of radiation exposure associated with wet deposition. Although NDP forecasts have ensemble spread, they commonly figure out relative risk in space and time. They are of great benefit to disseminating effective warnings to public without failure. The multi-model ensemble technique may be effective to improve the reliability.
Wo, H.*; Wang, Q.*; Shen, Y.*; Zhang, X.*; Hao, Y.*; Feng, Y.*; Shen, S.*; He, Z.*; Pan, B.*; Wang, W.*; et al.
Physical Review Letters, 122(21), p.217003_1 - 217003_5, 2019/05
Times Cited Count:5 Percentile:41.86(Physics, Multidisciplinary)Miradji, F.; Suzuki, Chikashi; Nishioka, Shunichiro; Suzuki, Eriko; Nakajima, Kunihisa; Osaka, Masahiko; Barrachin, M.*; Do, T. M. D.*; Murakami, Kenta*; Suzuki, Masahide*
Proceedings of 9th Conference on Severe Accident Research (ERMSAR 2019) (Internet), 21 Pages, 2019/03
Kaneko, Masashi; Watanabe, Masayuki; Miyashita, Sunao*; Nakashima, Satoru*
Hyperfine Interactions, 239(1), p.20_1 - 20_10, 2018/12
Times Cited Count:4 Percentile:84.42(Physics, Atomic, Molecular & Chemical)We optimized a mixing ratio of exchange energy between pure DFT and exact Hartree-Fock using TPSS exchange-correlation functional to estimate the accurate coordination bonds in f-block complexes by numerically benchmarking with the experimental data of Mssbauer isomer shifts for
Eu and
Np nuclides. Second-order Douglas-Kroll-Hess Hamiltonian with segmented all-electron relativistically contracted basis set was employed to calculate the electron densities at Eu and Np nuclei, i.e. contact densities, for each five complexes for Eu(III) and Np(IV) systems. We compared the root mean square deviation values of their isomer shifts between experiment and calculation by changing the mixing ratio of Hartree-Fock exchange parameter from 0 to 100 % at intervals of 10 %. As the result, it was indicated that the mixing ratio of 30 and 60 % for Eu and Np benchmark systems, respectively, gives the smallest deviation values. Mulliken's spin population analysis indicated that the covalency in the metal-ligand bonds for both Eu and Np complexes decreases with increasing the Hartree-Fock exchange admixture.
Kim, J.*; Yamanaka, Satoru*; Nakajima, Akira*; Kato, Takanori*; Kim, Y.*; Fukuda, Tatsuo; Yoshii, Kenji; Nishihata, Yasuo; Baba, Masaaki*; Takeda, Masatoshi*; et al.
Advanced Sustainable Systems (Internet), 2(11), p.1800067_1 - 1800067_8, 2018/11
Times Cited Count:7 Percentile:27.19(Green & Sustainable Science & Technology)Kimura, Taiki*; Kaneko, Masashi; Watanabe, Masayuki; Miyashita, Sunao*; Nakashima, Satoru*
Dalton Transactions (Internet), 47(42), p.14924 - 14931, 2018/11
Times Cited Count:9 Percentile:48.50(Chemistry, Inorganic & Nuclear)We demonstrated density functional calculations of Eu(III) and Am(III) complexes with pnictogen-donor (X) ligands, CH)
X-CH
-CH
-X(CH
)
(X = N, P, As and Sb). We investigated the optimized structures of the cmoplexes and the Gibbs energy differences in the complex formation reactions. Those results indicated that the N- and P-donor ligands have Am(III) ion selectivity over Eu(III) ion, especially, the P-donor ligand showed the highest selectivity. The tendency of the Am(III)/Eu(III) selectivity by the pnictogen-dono ligands was found to be comparable to that of soft acid classification in hard and soft acids and bases rule. Mulliken's spin population analysis indicated that the bonding property between the metal ion and the pnictogen atoms correlated with the Am(III)/Eu(III) selectivity. In particular, the participation of f-orbital electrons of the metal ion in the covalency was indicated to have an important role for the selectivity.
Sato, Yosuke*; Takigawa, Masayuki*; Sekiyama, Tsuyoshi*; Kajino, Mizuo*; Terada, Hiroaki; Nagai, Haruyasu; Kondo, Hiroaki*; Uchida, Junya*; Goto, Daisuke*; Qulo, D.*; et al.
Journal of Geophysical Research; Atmospheres, 123(20), p.11748 - 11765, 2018/10
Times Cited Count:40 Percentile:84.54(Meteorology & Atmospheric Sciences)A model intercomparison of the atmospheric dispersion of Cs emitted following the Fukushima Daiichi Nuclear Power Plant accident was conducted by 12 models to understand the behavior of
Cs in the atmosphere. The same meteorological data, horizontal grid resolution, and an emission inventory were applied to all the models to focus on the model variability originating from the processes included in each model. The multi-model ensemble captured 40% of the observed
Cs events, and the figure-of-merit in space for the total deposition of
Cs exceeded 80. Our analyses indicated that the meteorological data were most critical for reproducing the
Cs events. The results also revealed that the differences among the models were originated from the deposition and diffusion processes when the meteorological field was simulated well. However, the models with strong diffusion tended to overestimate the
Cs concentrations.
Wu, P.*; Zhang, B.*; Peng, K. L.*; Hagiwara, Masayuki*; Ishikawa, Yoshihisa*; Kofu, Maiko; Lee, S. H.*; Kumigashira, Hiroshi*; Hu, C. S.*; Qi, Z. M.*; et al.
Physical Review B, 98(9), p.094305_1 - 094305_7, 2018/09
Times Cited Count:11 Percentile:48.30(Materials Science, Multidisciplinary)Using angle-resolved photoemission spectroscopy and inelastic neutron scattering, we have studied how electronic structures and lattice dynamics evolve with temperature in Na-doped SnSe.
Kitayama, Kyo*; Morino, Yu*; Takigawa, Masayuki*; Nakajima, Teruyuki*; Hayami, Hiroshi*; Nagai, Haruyasu; Terada, Hiroaki; Saito, Kazuo*; Shimbori, Toshiki*; Kajino, Mizuo*; et al.
Journal of Geophysical Research; Atmospheres, 123(14), p.7754 - 7770, 2018/07
Times Cited Count:25 Percentile:69.93(Meteorology & Atmospheric Sciences)We compared seven atmospheric transport model results for Cs released during the Fukushima Daiichi Nuclear Power Plant accident. All the results had been submitted for a model intercomparison project of the Science Council of Japan in 2014. We assessed model performance by comparing model results with observed hourly atmospheric concentrations of
Cs, focusing on nine plumes over the Tohoku and Kanto regions. The results showed that model performance for
Cs concentrations was highly variable among models and plumes. We also assessed model performance for accumulated
Cs deposition. Simulated areas of high deposition were consistent with the plume pathways, though the models that best simulated
Cs concentrations were different from those that best simulated deposition. The ensemble mean of all models consistently reproduced
Cs concentrations and deposition well, suggesting that use of a multimodel ensemble results in more effective and consistent model performance.
Kobata, Masaaki; Okane, Tetsuo; Nakajima, Kunihisa; Suzuki, Eriko; Owada, Kenji; Kobayashi, Keisuke*; Yamagami, Hiroshi; Osaka, Masahiko
Journal of Nuclear Materials, 498, p.387 - 394, 2018/01
Times Cited Count:18 Percentile:87.53(Materials Science, Multidisciplinary)In this study, for the understandings of Cesium (Cs) adsorption behavior on structure materials in severe accidents at a light water nuclear reactor, the chemical state of Cs and its distribution on the surface of SUS304 stainless steel (SS) with different Si concentration were investigated by hard X-ray photoelectron spectroscopy (HAXPES) and scanning electron microscope / energy dispersive X-ray spectroscopy (SEM/EDX). As a result, it was found that Cs is selectively adsorbed at the site where Si distributes with high concentration. CsFeSiO is a dominant Cs products in the case of low Si content, mainly formed, while Cs
Si
O
and Cs
Si
O
are formed in addition to CsFeSiO
in the case of high Si content. The chemical forms of the Cs compounds produced in the adsorption process on the SS surface has a close correlation with the concentration and chemical states of Si originally included in SS.
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.
Theis, C.*; Carbonez, P.*; Feldbaumer, E.*; Forkel-Wirth, D.*; Jaegerhofer, L.*; Pangallo, M.*; Perrin, D.*; Urscheler, C.*; Roesler, S.*; Vincke, H.*; et al.
EPJ Web of Conferences, 153, p.08018_1 - 08018_5, 2017/09
Times Cited Count:0 Percentile:0.03(Nuclear Science & Technology)At CERN, gas-filled ionization chambers PTW-34031 (PMI) are commonly used in radiation fields including neutrons, protons and -rays. A response function for each particle is calculated by the radiation transport code FLUKA. To validate a response function to high energy neutrons, benchmark experiments with quasi mono-energetic neutrons have been carried out at RCNP, Osaka University. For neutron irradiation with energies below 200 MeV, very good agreement was found comparing the FLUKA simulations and the measurements. In addition it was found that at proton energies of 250 and 392 MeV, results calculated with neutron sources underestimate the experimental data due to a non-negligible gamma component originating from the target
Li(p,n)Be reaction.