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Tang, J.*; Seo, O.*; Rivera Rocabado, D. S.*; Koitaya, Takanori*; Yamamoto, Susumu*; Namba, Yusuke*; Song, C.*; Kim, J.*; Yoshigoe, Akitaka; Koyama, Michihisa*; et al.
Applied Surface Science, 587, p.152797_1 - 152797_8, 2022/06
Times Cited Count：7 Percentile：77.62(Chemistry, Physical)The hydrogen absorption and diffusion mechanisms on cube-shaped Pd nanoparticles (NPs) which are important hydrogen-storage materials were studied using X-ray photoelectron spectroscopy and DFT calculations. In the surface region, hydrogen absorption showed almost similar behavior regardless of the NPs size. It was found that the octahedral sites are more favorable than the tetrahedral sites for hydrogen occupation. We also clarified that the hydrogen atoms absorbing on the smaller-sized Pd NPs diffuse to the subsurface more actively because of the weakened Pd-H bond by the surface disordering, which plays an important role in hydrogen adsorption at a low H
pressure.
Tang, J.*; Yamamoto, Susumu*; Koitaya, Takanori*; Yoshigoe, Akitaka; Tokunaga, Takuma*; Mukai, Kozo*; Matsuda, Iwao*; Yoshinobu, Jun*
Applied Surface Science, 480, p.419 - 426, 2019/06
Times Cited Count：10 Percentile：49.82(Chemistry, Physical)Mass transports during hydrogen adsorption and absorption processes of PdCu alloys that has advantages of higher hydrogen diffusivity and economically lower-cost than the other Pd-alloys were studied. The research was made with a comparison of the well-known ordered phase of the bcc structure (the B2 phase) and a mixed phase of the fcc and B2 structures. 
ultrahigh vacuum X-ray photoelectron spectroscopy and ambient pressure X-ray photoelectron spectroscopy using synchrotron radiation were carried out to trace the chemical states of the Pd and Cu atoms as a function of temperatures. It is elucidated that the initial adsorption and absorption processes were similar in the two phases, but a hydrogen diffusion rate to the bulk was higher in the ordered phase than in the mixed one. We found the dynamics of the Pd and Cu atoms during the hydrogen adsorption/absorption processes largely depend on temperature. In the hydrogen atmosphere, the Pd atoms segregate at the surface below 373 K and Cu atoms segregate at the surface above 373 K. The present results agree well with the previous theoretical calculations and, thus, provide appropriate inputs toward developments of the hydrogen permeation materials.
Ishizawa, Akihiro*; Idomura, Yasuhiro; Imadera, Kenji*; Kasuya, Naohiro*; Kanno, Ryutaro*; Satake, Shinsuke*; Tatsuno, Tomoya*; Nakata, Motoki*; Nunami, Masanori*; Maeyama, Shinya*; et al.
Purazuma, Kaku Yugo Gakkai-Shi, 92(3), p.157 - 210, 2016/03
The high-performance computer system Helios which is located at The Computational Simulation Centre (CSC) in The International Fusion Energy Research Centre (IFERC) started its operation in January 2012 under the Broader Approach (BA) agreement between Japan and the EU. The Helios system has been used for magnetised fusion related simulation studies in the EU and Japan and has kept high average usage rate. As a result, the Helios system has contributed to many research products in a wide range of research areas from core plasma physics to reactor material and reactor engineering. This project review gives a short catalogue of domestic simulation research projects. First, we outline the IFERC-CSC project. After that, shown are objectives of the research projects, numerical schemes used in simulation codes, obtained results and necessary computations in future.
and Np
Ga
Haga, Yoshinori; Aoki, Dai*; Homma, Yoshiya*; Matsuda, Tatsuma; Ikeda, Shugo*; Sakai, Hironori; Yamamoto, Etsuji; Nakamura, Akio; Shiokawa, Yoshinobu*; Onuki, Yoshichika
Journal of the Physical Society of Japan, 80(Suppl.A), p.SA109_1 - SA109_3, 2011/07
Times Cited Count：0 Percentile：0(Physics, Multidisciplinary)Metoki, Naoto; Kaneko, Koji; Ikeda, Shugo*; Sakai, Hironori; Yamamoto, Etsuji; Haga, Yoshinori; Homma, Yoshiya*; Shiokawa, Yoshinobu*
IOP Conference Series; Materials Science and Engineering, 9, p.012088_1 - 012088_8, 2010/05
Times Cited Count：1 Percentile：54.48(Chemistry, Inorganic & Nuclear)Inelastic neutron scattering study has been carried out on US. A clear crystalline electric field (CEF) peak has been observed at 7.4 meV, which is consistent with the level scheme obtained from susceptibility data assuming 5f
configuration. The CEF becomes very weak and broad, and a quasi-elastic response emerges above the characteristic temperature 
100 K. It indicates the crossover of the 5f character between localized and itinerant. A quasi-elastic response can be concluded as the hybridization effect of the 5f electrons with ligand p-electrons. Our study suggests that the crossover of the 5f character is the origin of the metal-insulator transition in US.
-US
Ikeda, Shugo*; Sakai, Hironori; Tateiwa, Naoyuki; Matsuda, Tatsuma; Aoki, Dai*; Homma, Yoshiya*; Yamamoto, Etsuji; Nakamura, Akio; Shiokawa, Yoshinobu*; Ota, Yuki*; et al.
Journal of the Physical Society of Japan, 78(11), p.114704_1 - 114704_10, 2009/11
Times Cited Count：12 Percentile：59(Physics, Multidisciplinary)
; X-ray magnetic circular dichroism studyOkane, Tetsuo; Okochi, Takuo*; Inami, Toshiya; Takeda, Yukiharu; Fujimori, Shinichi; Kawamura, Naomi*; Suzuki, Motohiro*; Tsutsui, Satoshi*; Yamagami, Hiroshi; Fujimori, Atsushi; et al.
Physical Review B, 80(10), p.104419_1 - 104419_7, 2009/09
Times Cited Count：6 Percentile：29.51(Materials Science, Multidisciplinary)
Kambe, Shinsaku; Sakai, Hironori; Tokunaga, Yo; Chudo, Hiroyuki; Yasuoka, Hiroshi; Matsuda, Tatsuma; Haga, Yoshinori; Ikeda, Shugo; Nakamura, Akio; Yamamoto, Etsuji; et al.
Journal of Nuclear Materials, 385(1), p.1 - 3, 2009/03
Times Cited Count：1 Percentile：10.22(Materials Science, Multidisciplinary)In 5f-electron systems, exotic magnetism and unconventional superconductivity appear at low temperatures owing to strong electron correlations and orbital degeneracy. For example, we have investigated the unconventional superconducting states of recently synthesized NpPdAl (
=5K) and PuRhGa (=9K) in terms of both macroscopic (staticsusceptibility, specific heat, resistivity) and microscopic (NMR) probes. The relation between magnetic fluctuations and unconventional superconductivity in f-electron systems is also discussed. Another exciting topic concerns the series AnO (An; U, Np, Pu, Am). Besides the importance of AnO as a nuclear fuel, the magnetic properties of these compounds at low temperatures are particularly interesting. On the basis of 
O-NMR studies, multipolar ordered states have been identified in UO (dipolar + quadrupolar ordering) and NpO (quadrupolar + octupolar ordering), in contrast with the non-magnetic ground state of PuO.
Al (An = U, Np)Haga, Yoshinori; Aoki, Dai*; Homma, Yoshiya*; Ikeda, Shugo; Matsuda, Tatsuma; Yamamoto, Etsuji; Sakai, Hironori; Tateiwa, Naoyuki; Dung, N. D.*; Nakamura, Akio; et al.
Journal of Alloys and Compounds, 464(1-2), p.47 - 50, 2008/09
Times Cited Count：19 Percentile：66.95(Chemistry, Physical)Tokunaga, Yo; Homma, Yoshiya*; Kambe, Shinsaku; Aoki, Dai*; Sakai, Hironori; Chudo, Hiroyuki; Ikushima, Kenji*; Yamamoto, Etsuji; Nakamura, Akio; Shiokawa, Yoshinobu*; et al.
Journal of Optoelectronics and Advanced Materials, 10(7), p.1663 - 1665, 2008/07
Multipolar degrees of freedom characteristic of 
-electrons bring rich and complex physics to rare-earth and actinide compounds. In the present work, we demonstrate that microscopic investigation of multipole order parameters is also possible by means of NMR through the hyperfine interactions. Our O NMR study performed on a single crystal of NpO provide definitive support for the proposed longitudinal triple-
type antiferro-octupolar ordering below 
26 K. We shall also provide our O NMR results on UO and PuO. The microscopic NMR clearly indicates the different nature of the magnetic ground states among three actinide dioxides.
-USIkeda, Shugo; Sakai, Hironori; Matsuda, Tatsuma; Tateiwa, Naoyuki; Nakamura, Akio; Yamamoto, Etsuji; Aoki, Dai*; Homma, Yoshiya*; Shiokawa, Yoshinobu*; Hedo, Masato*; et al.
Physica B; Condensed Matter, 403(5-9), p.893 - 894, 2008/04
Times Cited Count：6 Percentile：30.34(Physics, Condensed Matter)Single crystals of paramagnetic semiconductor -US with the orthorhombic (
) crystal structure were grown by chemical transport method. We measured the electrical resistivity 
under high pressure, and magnetization. With increasing pressure, the temperature dependence of approaches to semimetallic behavior and a kink anomaly appears at 
. shifts to higher temperature with increasing pressure. From the comparison with ferromagnetic semimetal UTeS having the same crystal structure, it seems that is a ferromagnetic transition.
by neutron diffractionJonen, Shintaro; Metoki, Naoto; Yamamoto, Etsuji; Homma, Yoshiya*; Aoki, Dai*; Shiokawa, Yoshinobu*; Onuki, Yoshichika
Journal of Alloys and Compounds, 448(1-2), p.84 - 88, 2008/01
Times Cited Count：1 Percentile：12.99(Chemistry, Physical)The magnetic structure of NpPtGa
was investigated by neutron diffraction. NpPtGa exhibits an A-type antiferromagnetic structure with propagation vector 
= (0 0 1/2) below 
= 26 K. The estimated Np magnetic moment is 0.38(5) 
, and it is oriented parallel to the 
100
direction. This small moment would be consistent with the large 
= 123 mJ/(K
mol), indicative of the heavy fermion nature. The field-induced anomaly in the magnetic susceptibility is clarified to be a signature for an antiferromagnetic domain change between multi-domains to single-domain states.
P-NMR study of the neptunium-based filled-skutterudite NpFe
P
Tokunaga, Yo; Aoki, Dai*; Homma, Yoshiya*; Sakai, Hironori; Chudo, Hiroyuki; Kambe, Shinsaku; Matsuda, Tatsuma; Ikeda, Shugo; Yamamoto, Etsuji; Nakamura, Akio; et al.
Journal of the Physical Society of Japan, 77(Suppl.A), p.211 - 213, 2008/00
Times Cited Count：3 Percentile：27.6(Physics, Multidisciplinary)P-NMR measurements have been performed on a single crystal of NpFeP which is the first crystallized transuranium filled-skutterudite compound. The field-orientation dependence of the hyperfine interaction has been measured using the single crystal, and the results compared with those obtained previously in isostructural compounds UFeP and PrFeP. We have also measured the field and temperature dependence of the nuclear spin-lattice relaxation rate in several fields between 1.8 and 8 T at temperatures between 4.2 and 300 K. The results are discussed on the basis of a localized picture for the 5f electrons.
Ikeda, Shugo*; Sakai, Hironori; Matsuda, Tatsuma; Tateiwa, Naoyuki; Aoki, Dai*; Homma, Yoshiya*; Nakamura, Akio; Yamamoto, Etsuji; Shiokawa, Yoshinobu*; Hedo, Masato*; et al.
Journal of the Physical Society of Japan, 77(Suppl.A), p.359 - 361, 2008/00
Times Cited Count：1 Percentile：11.66(Physics, Multidisciplinary)The ferromagnet UTeS was studied by measurement the resistivity under high pressure. The Curie temperature 
rapidly increases from 87 K to 166 Kat 8 GPa. The result suggests that there is a correlation between the electrical conductivity and magnetic transition temperature, implying the strong hybridization.
AlAoki, Dai*; Haga, Yoshinori; Matsuda, Tatsuma; Tateiwa, Naoyuki; Ikeda, Shugo*; Homma, Yoshiya*; Sakai, Hironori; Shiokawa, Yoshinobu*; Yamamoto, Etsuji; Nakamura, Akio; et al.
Journal of the Physical Society of Japan, 77(Suppl.A), p.159 - 164, 2008/00
Times Cited Count：3 Percentile：27.6(Physics, Multidisciplinary)Superconducting properties are investigated on the new neptunium-based superconductor NpPdAl. The large electronic specific heat, anisotropy of magnetic as well as superconducting properties and strong paramagnetic effect implies spin-singlet pairing with anisotropic superconducting gap.
Ito, Kei; Kunugi, Tomoaki*; Yamamoto, Yoshinobu*
Dai-21-Kai Suchi Ryutai Rikigaku Shimpojiumu Koen Yoshishu (CD-ROM), 5 Pages, 2007/12
To evaluate gas entrainment phenomena in fast reactor systems accurately, we are developing a high-precision gas-liquid two-phase flow simulation method on the unstructured mesh. As a part of the development, an appropriate formulation was newly derived based on collocated variables' distributions employed in our unstructured simulation method. This formulation satisfied a mechanical balance between surface tension and pressure gradient at interfacial region. A definition formula of each phase's velocity near interfacial mesh cell was also improved to calculate physically correct velocity. The improved method was verified by simulating a rising air bubble in static water. It was confirmed that the new formulation eliminated unphysical interfacial behaviors induced by inappropriate formulations, and led similar air bubble shapes with experimental data both on the structured and the unstructured meshes.
Sakai, Hironori; Kambe, Shinsaku; Tokunaga, Yo; Fujimoto, Tatsuya; Walstedt, R. E.*; Yasuoka, Hiroshi; Aoki, Dai*; Homma, Yoshiya*; Yamamoto, Etsuji; Nakamura, Akio; et al.
Journal of Physics and Chemistry of Solids, 68(11), p.2103 - 2106, 2007/11
Times Cited Count：1 Percentile：7.46(Chemistry, Multidisciplinary)A lot of attention is currently focused on Pu-based superconductors. These systems have relatively high superconducting (SC) transition temperatures, 
18 K for PuCoGa and 9 K for PuRhGa. Both compounds crystallize in the tetragonal HoCoGa (115) structure, which is well known for the heavy-fermion SC systems Ce
In (=Co, Rh, Ir)with 
2 K at most. Recently, NMR and NQR experiments have been reported for PuCoGa by Curro et al. and for PuRhGa by our group. In both cases, measurements of 
using NQR have revealed that the Pu115 superconductors show unconventional superconductivity with an anisotropic gap. Now we have measured the more detailed data of for NQR lines in PuRhGa, especially focusing on the low-lying magnetic excitation in the normal state. From the viewpoint of spin-fluctuations, we will discuss the difference between PuRhGa and PuCoGa and between superconducting Pu115 and non-superconducting An115 series.
O NMR spin-lattice relaxation in NpO; Field-dependent cross-relaxation process driven by 
Np spinsTokunaga, Yo; Walstedt, R. E.*; Homma, Yoshiya*; Aoki, Dai*; Kambe, Shinsaku; Sakai, Hironori; Fujimoto, Tatsuya; Ikeda, Shugo; Yamamoto, Etsuji; Nakamura, Akio; et al.
Journal of Physics and Chemistry of Solids, 68(11), p.2016 - 2019, 2007/11
Times Cited Count：2 Percentile：13.02(Chemistry, Multidisciplinary)In this paper, we report a comprehensive study of O nuclear spin-lattice relaxation in NpO for a wide range of fields and temperatures. In both the paramagnetic and ordered-state regions, a strong, field-dependent Np -O nuclei cross-relaxation process is observed in addition to the expected background rate. The cross relaxation process, driven by the Np spins, is conveyed to the O via a greatly enhanced indirect nuclear spin-spin coupling which is described and reported here for the first time. The magnitude and temperature dependence of the indirect coupling are in reasonable accord with a simple theoretical model. The magnitude and temperature dependence of the Np 
process are also deduced from the data obtained.
Tokunaga, Yo; Sakai, Hironori; Fujimoto, Tatsuya; Kambe, Shinsaku; Walstedt, R. E.*; Ikushima, Kenji*; Yasuoka, Hiroshi; Aoki, Dai*; Homma, Yoshiya*; Haga, Yoshinori; et al.
Journal of Alloys and Compounds, 444-445, p.241 - 245, 2007/10
Times Cited Count：19 Percentile：68.81(Chemistry, Physical)In this paper, we present our recent NMR works on Neptunium and Plutonium compounds. In order to elucidate the nature of the exotic multipolar ordered phase of NpO, we have initiated the first NMR measurements on this system. We have shown that direct observation of multipole order parameters is possible by means of NMR. Our NMR results provide further insight into the microscopic nature of multipole phase transitions in f-electron systems. We have also performed 
Ga NMR/NQR studies on a single crystal of PuRhGa. From the temperature dependence of the spin-lattice relaxation rate (
), we have found that PuRhGa is an unconventional superconductor having an anisotropic superconducting (SC) gap 2
=5
. Furthermore, we have confirmed the Knight shift to be decreased below . This gives strong evidence for spin singlet SC pairing.
Haga, Yoshinori; Aoki, Dai*; Yamagami, Hiroshi*; Matsuda, Tatsuma; Nakajima, Kunihisa; Arai, Yasuo; Yamamoto, Etsuji; Nakamura, Akio; Homma, Yoshiya*; Shiokawa, Yoshinobu*; et al.
Journal of Alloys and Compounds, 444-445, p.114 - 118, 2007/10
Times Cited Count：3 Percentile：28.09(Chemistry, Physical)We report the first dHvA study in plutonium compound PuIn with the cubic AuCu type structure, which can be regarded as a reference compound of PuCoGa. The result of the angular dependence of the dHvA frequency, which corresponds to the extremal cross section of the Fermi surface perpendicular to the field direction, was analyzed by the band calculations. The experimental data agree well with the theory, indicating that the 5f electrons can be treated as itinerant ones. The experimental dHvA study for plutonium-based superconductors such as PuCoGa are also desired but more challenging because the superconducting mixed state extremely weaken the dHvA amplitude.
