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Journal Articles

Slightly hydrogen-ordered state of ice IV evidenced by ${it in situ}$ neutron diffraction

Kobayashi, Hiroki*; Komatsu, Kazuki*; Ito, Hayate*; Machida, Shinichi*; Hattori, Takanori; Kagi, Hiroyuki*

Journal of Physical Chemistry Letters (Internet), 14(47), p.10664 - 10669, 2023/11

 Times Cited Count:0 Percentile:0.01(Chemistry, Physical)

Ice IV is a metastable high-pressure phase of ice in which the water molecules exhibit orientational disorder. Although orientational ordering is commonly observed for other ice phases, it has not been reported for ice IV. We conducted ${it in situ}$ powder neutron diffraction experiments for DCl-doped D$$_{2}$$O ice IV to investigate hydrogen ordering in ice IV. We found abrupt changes in the temperature derivative of unit cell volume, dV/dT, at about 120 K, and revealed their slightly ordered structure at low temperatures based on the Rietveld method. The occupancy of the D1 site deviates from 0.5; it increased when samples were cooled at higher pressures and reached 0.282(5) at 2.38 GPa, 58 K. Our results evidence the presence of a low-symmetry hydrogen-ordered state corresponding to ice IV. It seems, however, difficult to experimentally access the completely ordered phase corresponding to ice IV by slow cooling at high pressure.

Journal Articles

Machine learning molecular dynamics reveals the structural origin of the first sharp diffraction peak in high-density silica glasses

Kobayashi, Keita; Okumura, Masahiko; Nakamura, Hiroki; Itakura, Mitsuhiro; Machida, Masahiko; Urata, Shingo*; Suzuya, Kentaro

Scientific Reports (Internet), 13, p.18721_1 - 18721_12, 2023/11

 Times Cited Count:1 Percentile:0(Multidisciplinary Sciences)

The first sharp peak diffraction peak (FSDP) in the structure factor of amorphous materials is thought to reflect the medium-range order structure in amorphous materials, and the structural origin of the FSDP has been a subject of ongoing debate. In this study, we employed machine learning molecular dynamics (MLMD) with nearly first-principles calculation accuracy to investigate the structural origin of the FSDP in high-density silica glass. First, we successfully reproduced various experimental data of high-density silica glass using MLMD. Furthermore, we revealed that the development (or reduction) of the FSDP in high-density silica glass is characterized by the deformation behavior of ring structures in Si-O covalent bond networks under compression.

Journal Articles

Level structures of $$^{56,58}$$Ca cast doubt on a doubly magic $$^{60}$$Ca

Chen, S.*; Browne, F.*; Doornenbal, P.*; Lee, J.*; Obertelli, A.*; Tsunoda, Yusuke*; Otsuka, Takaharu*; Chazono, Yoshiki*; Hagen, G.*; Holt, J. D.*; et al.

Physics Letters B, 843, p.138025_1 - 138025_7, 2023/08

 Times Cited Count:1 Percentile:0.02(Astronomy & Astrophysics)

Gamma decays were observed in $$^{56}$$Ca and $$^{58}$$Ca following quasi-free one-proton knockout reactions from $$^{57,59}$$Sc. For $$^{56}$$Ca, a $$gamma$$ ray transition was measured to be 1456(12) keV, while for $$^{58}$$Ca an indication for a transition was observed at 1115(34) keV. Both transitions were tentatively assigned as the $$2^{+}_{1} rightarrow 0^{+}_{gs}$$ decays. A shell-model calculation in a wide model space with a marginally modified effective nucleon-nucleon interaction depicts excellent agreement with experiment for $$2^{+}_{1}$$ level energies, two-neutron separation energies, and reaction cross sections, corroborating the formation of a new nuclear shell above the N = 34 shell. Its constituents, the $$0_{f5/2}$$ and $$0_{g9/2}$$ orbitals, are almost degenerate. This degeneracy precludes the possibility for a doubly magic $$^{60}$$Ca and potentially drives the dripline of Ca isotopes to $$^{70}$$Ca or even beyond.

Journal Articles

Machine learning molecular dynamics simulations for evaluation of high-temperature properties of nuclear fuel materials

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

Materia, 62(3), p.175 - 181, 2023/03

no abstracts in English

Journal Articles

New measurement system based on small-angle neutron scattering for structural analysis of light-responsive materials

Iwase, Hiroki*; Akamatsu, Masaaki*; Inamura, Yasuhiro; Sakaguchi, Yoshifumi*; Morikawa, Toshiaki*; Kasai, Satoshi*; Ouchi, Keiichi*; Kobayashi, Kazuki*; Sakai, Hideki*

Journal of Applied Crystallography, 56(1), p.110 - 115, 2023/02

 Times Cited Count:2 Percentile:85.44(Chemistry, Multidisciplinary)

With the increasing importance of light-responsive materials, it is vital to analyze the relationship between function and structural changes induced by light irradiation. Small-angle scattering (SAS) is effective for such structural analysis. However, quantitatively capturing local molecular structure formation and molecular reactions at a scale of less than 1 nm via SAS is difficult. In this study, to analyze the structure of non-equilibrium phenomena in light-responsive materials, a new sample environment has been developed for a time-of-flight small- and wide-angle neutron scattering instrument (TAIKAN), comprising a UV-Vis irradiation system, UV-Vis absorption measurement equipment and photodetector. Simultaneous measurement of small-angle neutron scattering and UV-Vis absorption was achieved. This system was used to demonstrate the in situ observation of UV-Vis irradiation-induced structural change of micelles formed by a light-responsive surfactant sample in an aqueous solution.

Journal Articles

"Southwestern" boundary of the $$N = 40$$ island of inversion; First study of low-lying bound excited states in $$^{59}$$V and $$^{61}$$V

Elekes, Z.*; Juh$'a$sz, M. M.*; Sohler, D.*; Sieja, K.*; Yoshida, Kazuki; Ogata, Kazuyuki*; Doornenbal, P.*; Obertelli, A.*; Achouri, N. L.*; Baba, Hidetada*; et al.

Physical Review C, 106(6), p.064321_1 - 064321_10, 2022/12

 Times Cited Count:2 Percentile:0.02(Physics, Nuclear)

The low-lying level structure of $$^{59}$$V and $$^{61}$$V was investigated for the first time. The neutron knockout reaction and inelastic proton scattering were applied for $$^{61}$$V while the neutron knock-out reaction provided the data for $$^{59}$$V. Four and five new transitions were determined for $$^{59}$$V and $$^{61}$$V, respectively. Based on the comparison to our shell-model calculations using the Lenzi-Nowacki-Poves-Sieja (LNPS) interaction, three of the observed $$gamma$$ rays for each isotope could be placed in the level scheme and assigned to the decay of the first 11/2$$^{-}$$ and 9/2$$^{-}$$ levels. The ($$p$$,$$p'$$) excitation cross sections for $$^{61}$$V were analyzed by the coupled-channels formalism assuming quadrupole plus hexadecapole deformations. Due to the role of the hexadecapole deformation, $$^{61}$$V could not be unambiguously placed on the island of inversion.

Journal Articles

Extended $$p_{3/2}$$ neutron orbital and the $$N = 32$$ shell closure in $$^{52}$$Ca

Enciu, M.*; Liu, H. N.*; Obertelli, A.*; Doornenbal, P.*; Nowacki, F.*; Ogata, Kazuyuki*; Poves, A.*; Yoshida, Kazuki; Achouri, N. L.*; Baba, Hidetada*; et al.

Physical Review Letters, 129(26), p.262501_1 - 262501_7, 2022/12

 Times Cited Count:4 Percentile:46.35(Physics, Multidisciplinary)

The one-neutron knockout from $$^{52}$$Ca was performed at $$sim$$230 MeV/nucleon combined with prompt $$gamma$$ spectroscopy. The momentum distributions corresponding to the removal of $$1f_{7/2}$$ and $$2p_{3/2}$$ neutrons were measured. The cross sections are consistent with a shell closure at the neutron number $$N = 32$$, found as strong as at $$N = 28$$ and $$N = 34$$ in Ca isotopes from the same observables. The analysis of the momentum distributions leads to a difference of the root-mean-square radii of the neutron $$1_{f7/2}$$ and $$2p_{3/2}$$ orbitals of 0.61(23) fm, in agreement with the modified-shell-model prediction of 0.7 fm suggesting that the large root-mean-square radius of the $$2p_{3/2}$$ orbital in neutron-rich Ca isotopes is responsible for the unexpected linear increase of the charge radius with the neutron number.

Journal Articles

Materials science and fuel technologies of uranium and plutonium mixed oxide

Kato, Masato; Machida, Masahiko; Hirooka, Shun; Nakamichi, Shinya; Ikusawa, Yoshihisa; Nakamura, Hiroki; Kobayashi, Keita; Ozawa, Takayuki; Maeda, Koji; Sasaki, Shinji; et al.

Materials Science and Fuel Technologies of Uranium and Plutonium mixed Oxide, 171 Pages, 2022/10

Innovative and advanced nuclear reactors using plutonium fuel has been developed in each country. In order to develop a new nuclear fuel, irradiation tests are indispensable, and it is necessary to demonstrate the performance and safety of nuclear fuels. If we can develop a technology that accurately simulates irradiation behavior as a technology that complements the irradiation test, the cost, time, and labor involved in nuclear fuel research and development will be greatly reduced. And safety and reliability can be significantly improved through simulation of nuclear fuel irradiation behavior. In order to evaluate the performance of nuclear fuel, it is necessary to know the physical and chemical properties of the fuel at high temperatures. And it is indispensable to develop a behavior model that describes various phenomena that occur during irradiation. In previous research and development, empirical methods with fitting parameters have been used in many parts of model development. However, empirical techniques can give very different results in areas where there is no data. Therefore, the purpose of this study is to construct a scientific descriptive model that can extrapolate the basic characteristics of fuel to the composition and temperature, and to develop an irradiation behavior analysis code to which the model is applied.

Journal Articles

Sodium-cooled Fast Reactors

Ohshima, Hiroyuki; Morishita, Masaki*; Aizawa, Kosuke; Ando, Masanori; Ashida, Takashi; Chikazawa, Yoshitaka; Doda, Norihiro; Enuma, Yasuhiro; Ezure, Toshiki; Fukano, Yoshitaka; et al.

Sodium-cooled Fast Reactors; JSME Series in Thermal and Nuclear Power Generation, Vol.3, 631 Pages, 2022/07

This book is a collection of the past experience of design, construction, and operation of two reactors, the latest knowledge and technology for SFR designs, and the future prospects of SFR development in Japan. It is intended to provide the perspective and the relevant knowledge to enable readers to become more familiar with SFR technology.

Journal Articles

Machine learning molecular dynamics simulations toward exploration of high-temperature properties of nuclear fuel materials; Case study of thorium dioxide

Kobayashi, Keita; Okumura, Masahiko; Nakamura, Hiroki; Itakura, Mitsuhiro; Machida, Masahiko; Cooper, M. W. D.*

Scientific Reports (Internet), 12(1), p.9808_1 - 9808_11, 2022/06

 Times Cited Count:9 Percentile:71.37(Multidisciplinary Sciences)

no abstracts in English

Journal Articles

A First glimpse at the shell structure beyond $$^{54}$$Ca; Spectroscopy of $$^{55}$$K, $$^{55}$$Ca, and $$^{57}$$Ca

Koiwai, Takuma*; Wimmer, K.*; Doornenbal, P.*; Obertelli, A.*; Barbieri, C.*; Duguet, T.*; Holt, J. D.*; Miyagi, Takayuki*; Navr$'a$til, P.*; Ogata, Kazuyuki*; et al.

Physics Letters B, 827, p.136953_1 - 136953_7, 2022/04

 Times Cited Count:4 Percentile:52.69(Astronomy & Astrophysics)

no abstracts in English

Journal Articles

Pairing forces govern population of doubly magic $$^{54}$$Ca from direct reactions

Browne, F.*; Chen, S.*; Doornenbal, P.*; Obertelli, A.*; Ogata, Kazuyuki*; Utsuno, Yutaka; Yoshida, Kazuki; Achouri, N. L.*; Baba, Hidetada*; Calvet, D.*; et al.

Physical Review Letters, 126(25), p.252501_1 - 252501_7, 2021/06

 Times Cited Count:10 Percentile:69.3(Physics, Multidisciplinary)

Direct proton-knockout reactions of $$^{55}$$Sc were studied at the RIKEN Radioactive Isotope Beam Factory. Populated states of $$^{54}$$Ca were investigated through $$gamma$$-ray and invariant-mass spectroscopy. Level energies were calculated from the nuclear shell model employing a phenomenological inter-nucleon interaction. Theoretical cross sections to states were calculated from distorted-wave impulse approximation estimates multiplied by the shell model spectroscopic factors. Despite the calculations showing a significant amplitude of excited neutron configurations in the ground-state of $$^{55}$$Sc, valence proton removals populated predominantly the ground-state of $$^{54}$$Ca. This counter-intuitive result is attributed to pairing effects leading to a dominance of the ground-state spectroscopic factor. Owing to the ubiquity of the pairing interaction, this argument should be generally applicable to direct knockout reactions from odd-even to even-even nuclei.

Journal Articles

High-spin states in $$^{35}$$S

Go, Shintaro*; Ideguchi, Eiji*; Yokoyama, Rin*; Aoi, Nori*; Azaiez, F.*; Furutaka, Kazuyoshi; Hatsukawa, Yuichi; Kimura, Atsushi; Kisamori, Keiichi*; Kobayashi, Motoki*; et al.

Physical Review C, 103(3), p.034327_1 - 034327_8, 2021/03

 Times Cited Count:4 Percentile:57.13(Physics, Nuclear)

Journal Articles

First spectroscopic study of $$^{51}$$Ar by the ($$p$$,2$$p$$) reaction

Juh$'a$sz, M. M.*; Elekes, Z.*; Sohler, D.*; Utsuno, Yutaka; Yoshida, Kazuki; Otsuka, Takaharu*; Ogata, Kazuyuki*; Doornenbal, P.*; Obertelli, A.*; Baba, Hidetada*; et al.

Physics Letters B, 814, p.136108_1 - 136108_8, 2021/03

AA2020-0747.pdf:0.83MB

 Times Cited Count:5 Percentile:46.8(Astronomy & Astrophysics)

The nuclear structure of $$^{51}$$Ar was studied by the ($$p$$,2$$p$$) reaction using $$gamma$$-ray spectroscopy for the bound and unbound states. Comparing the results to our shell-model calculations, two bound and six unbound states were established. The low cross sections populating the two bound states of $$^{51}$$Ar could be interpreted as a clear signature for the presence of significant sub-shell closures at neutron numbers 32 and 34 in argon isotopes.

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

 Times Cited Count:14 Percentile:73.11(Materials Science, Multidisciplinary)

no abstracts in English

Journal Articles

$$N$$ = 32 shell closure below calcium; Low-lying structure of $$^{50}$$Ar

Cort$'e$s, M. L.*; Rodriguez, W.*; Doornenbal, P.*; Obertelli, A.*; Holt, J. D.*; Men$'e$ndez, J.*; Ogata, Kazuyuki*; Schwenk, A.*; Shimizu, Noritaka*; Simonis, J.*; et al.

Physical Review C, 102(6), p.064320_1 - 064320_9, 2020/12

AA2020-0748.pdf:0.75MB

 Times Cited Count:11 Percentile:73.66(Physics, Nuclear)

Low-lying excited states in the $$N$$ = 32 isotope $$^{50}$$Ar were investigated by in-beam $$gamma$$-ray spectroscopy following proton- and neutron-knockout, multinucleon removal, and proton inelastic scattering at the RIKEN Radioactive Isotope Beam Factory. The energies of the two previously reported transitions have been confirmed, and five additional states are presented for the first time, including a candidate for a 3$$^{-}$$ state. The level scheme built using $$gamma$$ $$gamma$$ coincidences was compared to shell-model calculations in the $$sd-pf$$ model space and to ${it ab initio}$ predictions based on chiral two- and three-nucleon interactions. Theoretical proton- and neutron-knockout cross sections suggest that two of the new transitions correspond to 2$$^{+}$$ states, while the previously proposed 4$$^{+}_{1}$$ state could also correspond to a 2$$^{+}$$ state.

Journal Articles

Shell evolution of $$N$$ = 40 isotones towards $$^{60}$$Ca; First spectroscopy of $$^{62}$$Ti

Cort$'e$s, M. L.*; Rodriguez, W.*; Doornenbal, P.*; Obertelli, A.*; Holt, J. D.*; Lenzi, S. M.*; Men$'e$ndez, J.*; Nowacki, F.*; Ogata, Kazuyuki*; Poves, A.*; et al.

Physics Letters B, 800, p.135071_1 - 135071_7, 2020/01

 Times Cited Count:31 Percentile:96.23(Astronomy & Astrophysics)

Excited states in the $$N$$ = 40 isotone $$^{62}$$Ti were populated via the $$^{63}$$V($$p$$,$$2p$$)$$^{62}$$Ti reaction at $$sim$$200 MeV/nucleon at the Radioactive Isotope Beam Factory and studied using $$gamma$$-ray spectroscopy. The energies of the $$2_1^+ rightarrow 0_{rm gs}^+$$ and $$4_1^+ rightarrow 2_1^+$$ transitions, observed here for the first time, indicate a deformed Ti ground state. These energies are increased compared to the neighboring $$^{64}$$Cr and $$^{66}$$Fe isotones, suggesting a small decrease of quadrupole collectivity. The present measurement is well reproduced by large-scale shell-model calculations based on effective interactions, while ab initio and beyond mean-field calculations do not yet reproduce our findings.

Journal Articles

Quasifree neutron knockout from $$^{54}$$Ca corroborates arising $$N=34$$ neutron magic number

Chen, S.*; Lee, J.*; Doornenbal, P.*; Obertelli, A.*; Barbieri, C.*; Chazono, Yoshiki*; Navr$'a$til, P.*; Ogata, Kazuyuki*; Otsuka, Takaharu*; Raimondi, F.*; et al.

Physical Review Letters, 123(14), p.142501_1 - 142501_7, 2019/10

AA2019-0306.pdf:0.57MB

 Times Cited Count:47 Percentile:92.65(Physics, Multidisciplinary)

no abstracts in English

Journal Articles

Spectral reflectance and associated photograph of boreal forest understory formation in interior Alaska

Kobayashi, Hideki*; Suzuki, Rikie*; Yang, W.*; Ikawa, Hiroki*; Inoue, Tomoharu*; Nagano, Hirohiko; Kim, Y.*

Polar Data Journal (Internet), 2, p.14 - 29, 2018/11

The Arctic and boreal regions have been experiencing a rapid warming in the 21st century. It is important to understand the dynamics of boreal forest at the continental scale under the climate and environmental changes. While the role of understory vegetation in boreal forest ecosystems on carbon and nutrient cycling cannot be ignored, they are still one of least understood components in boreal ecosystems. Spectroscopic measurements of vegetation are useful to identify species and their biochemical characteristics. In this data paper, we present spectral reflectances of 44 typical understory formations and five 30-m long transects. The spectral reflectance covers the spectral region of visible, near infrared and shortwave infrared (350-2500 nm). For the transect measurements, we decided the length of transect at 30 m, similar to the scale of one pixel of a Landsat type satellite imagery. The photographs at all positions, where spectral reflectances were obtained, are included to understand the structure and status of each sample. The data set contains six dwarf shrubs (blueberry (${it Vaccinium uliginosum}$), cowberry (${it Vaccinium vitisidea}$), feltleaf willow (${it Salix alaxensis}$), young birch (${it Betula neoalaskana}$), young aspen (${it Pupulus tremuloides}$), and young black spruce (${it Picea mariana}$)), two herbaceous (cottongrass (${it Eriophorum vaginatum}$) and marsh Labrador tea (${it Ledum decumbens}$)), three mosses (Sphagnum moss, splendid feather moss (${it Hylocomium splendens}$), and polytrichum moss (${it Polytrichum commune}$)), and reindeer lichen (${it Cladonia rangiferina}$). Spectral reflectances from several non-vegetative such as snow, litter, and soil are also included. This spectral and photographic data set can be used for understanding the spectral characteristics of understory formations, designing newly planned spectral observations, and developing and validating the remote sensing methodology of large scale understory monitoring.

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:6 Percentile:25.82(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.

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