Crystallographic and/or magnetic properties of neutral and cationic uranium(IV) sandwiched phthalocyanine complexes

Tabata, Chihiro; Watanabe, Hirohito*; Shirasaki, Kenji*; Sunaga, Ayaki*; Fukuda, Takamitsu*; Li, D.*; Yamamura, Tomoo*

Journal of Molecular Structure, 1277, p.134870_1 - 134870_8, 2023/04

https://doi.org/10.1016/j.molstruc.2022.134870

Neutral and cationic U(IV) sandwiched phthalocyanine (Pc) complexes were prepared. The neutral species, UPc, was obtained by the reaction of UCl] and phthalonitrile, and the [UPc][BF] crystals were grown by electrolysis. The structures of the complexes were determined crystallographically. A U(IV) ion has two electrons, which carry a magnetic moment localized at the U sites, making the complex magnetically active. The magnetic susceptibility measurement of UPc revealed that the system was paramagnetic with local magnetic moments down to 2 K, but these magnetic moments were suppressed, possibly by a ligand field effect. The paramagnetism was also confirmed by the magnetization curve without hysteresis. The cationic complex, [UPc][BF]] crystalized in a tetragonal structure with the space group , in which the UPc molecules stacked along the tetragonal -axis. The structure was similar to that of [LnPc][BF]], but with distinct disorder in the stacking plane. The stabilities of the crystal and molecular structures and the electronic configurations of UPc and [UPc][BF]] were evaluated via the calculations that included the multiconfigurational nature of the actinide element.

Design and actual performance of J-PARC 3 GeV rapid cycling synchrotron for high-intensity operation

Yamamoto, Kazami; Kinsho, Michikazu; Hayashi, Naoki; Saha, P. K.; Tamura, Fumihiko; Yamamoto, Masanobu; Tani, Norio; Takayanagi, Tomohiro; Kamiya, Junichiro; Shobuda, Yoshihiro; et al.

Journal of Nuclear Science and Technology, 59(9), p.1174 - 1205, 2022/09

https://doi.org/10.1080/00223131.2022.2038301

In the Japan Proton Accelerator Research Complex, the purpose of the 3 GeV rapid cycling synchrotron (RCS) is to accelerate a 1 MW, high-intensity proton beam. To achieve beam operation at a repetition rate of 25 Hz at high intensities, the RCS was elaborately designed. After starting the RCS operation, we carefully verified the validity of its design and made certain improvements to establish a reliable operation at higher power as possible. Consequently, we demonstrated beam operation at a high power, namely, 1 MW. We then summarized the design, actual performance, and improvements of the RCS to achieve a 1 MW beam.

Dislocation core structure and motion in pure titanium and titanium alloys; A First-principles study

Tsuru, Tomohito; Itakura, Mitsuhiro; Yamaguchi, Masatake; Watanabe, Chihiro*; Miura, Hiromi*

Computational Materials Science, 203, p.111081_1 - 111081_9, 2022/02

https://doi.org/10.1016/j.commatsci.2021.111081

The deformation mode of some titanium (Ti) alloys differs from that of pure Ti due to the presence of alloying elements in -phase. Herein, we investigated all possible slip modes in pure Ti and the effects of Al and V solutes as typical additive elements on the dislocation motion in -Ti alloys using density functional theory (DFT) calculations. The stacking fault (SF) energies in possible slip planes indicated that both Al and V solutes reduce the SF energy in the basal plane and, in contrast, the Al solute increases the SF energy particularly in the prismatic plane. DFT calculations were subsequently performed to simulate dislocation core structures. The energy landscape of the transition between all possible dislocation core structures and the barriers for dislocation glide in various slip planes clarified the nature of dislocation motion in pure Ti. (i) the energy of prismatic core is higher than most stable pyramidal core, and thereby dislocations need to overcome the energy barrier of the cross-slip (22.8 meV/b) when they move in the prismatic plane, (ii) the energy difference between the prismatic and basal cores is larger (127 meV/b), that indicates the basal slip does not activate, (iii) however, the Peierls barrier for motion in the basal plane is not as high (16 meV/b). Direct calculations for the dislocation core around solutes revealed that both Al and V solutes facilitate dislocation motion in the basal plane by reducing the energy difference between the prismatic and basal cores. The effect of solutes characterizes the difference in the deformation mode of pure Ti and -Ti alloys.

PSTEP: Project for solar-terrestrial environment prediction

Kusano, Kanya*; Ichimoto, Kiyoshi*; Ishii, Mamoru*; Miyoshi, Yoshizumi*; Yoden, Shigeo*; Akiyoshi, Hideharu*; Asai, Ayumi*; Ebihara, Yusuke*; Fujiwara, Hitoshi*; Goto, Tadanori*; et al.

Earth, Planets and Space (Internet), 73(1), p.159_1 - 159_29, 2021/12

https://doi.org/10.1186/s40623-021-01486-1

The PSTEP is a nationwide research collaboration in Japan and was conducted from April 2015 to March 2020, supported by a Grant-in-Aid for Scientific Research on Innovative Areas from the Ministry of Education, Culture, Sports, Science and Technology of Japan. It has made a significant progress in space weather research and operational forecasts, publishing over 500 refereed journal papers and organizing four international symposiums, various workshops and seminars, and summer school for graduate students at Rikubetsu in 2017. This paper is a summary report of the PSTEP and describes the major research achievements it produced.

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

https://doi.org/10.1063/1.5037217

Reconstruction of the 2-dimensitonal beam profile at longitudinal phase space with tomography method in J-PARC RCS and MR

Yoshimoto, Masahiro; Tamura, Fumihiko; Yamamoto, Masanobu; Yoshii, Masahito*; Omori, Chihiro*; Hayashi, Naoki; Kawase, Masato; Watanabe, Kazuhiko*; Yoshikawa, Muneyoshi*

Proceedings of 6th Annual Meeting of Particle Accelerator Society of Japan (CD-ROM), p.737 - 740, 2010/03

https://www.pasj.jp/web_publish/pasj6/papers/tobdc02.pdf

The longitudinal phase space tomography, which was evolved to retrieve the two-dimensional beam distribution in the longitudinal phase space with computer tomography algorithms, is very useful diagnostic tool in the accelerator domain. The simple reconstruction tool was developed for the J-PARC RCS and MR with the convolution back projection method for the beam storage mode. On the assumption that the longitudinal profiles should not be disturbed for one period of the synchrotron oscillation, such two-dimensional profiles can be reconstructed easily from one-dimensional bunch beam profiles, which are measured for every turn by the wall current monitor.

Effects of heavy ions and -ray on the tardigrade

Horikawa, Daiki*; Sakashita, Tetsuya; Katagiri, Chihiro*; Watanabe, Masahiko*; Kikawada, Takahiro*; Nakahara, Yuichi*; Hamada, Nobuyuki*; Wada, Seiichi*; Funayama, Tomoo; Higashi, Seigo*; et al.

JAEA-Review 2006-042, JAEA Takasaki Annual Report 2005, P. 116, 2007/02

https://jopss.jaea.go.jp/pdfdata/JAEA-Review-2006-042.pdf

no abstracts in English

Full characterization of an intense pulsed hyperthermal molecular beam

Watanabe, Daisuke*; Che, D.-C.*; Fukuyama, Tetsuya*; Hashinokuchi, Michihiro*; Teraoka, Yuden; Kasai, Toshio*

Review of Scientific Instruments, 76(5), p.055108_1 - 055108_5, 2005/05

https://doi.org/10.1063/1.1898204

A molecular beam technique for generating an intense pulsed hyperthermal molecular beam (HTMB) was developed. The beam source consists of a pulse valve, a cooling-water bottle that protectes the pulse valve from heat transfer of a high temperature nozzle, and the nozzle with a heater. The pulsed HTMB of HCl was practically generated and characterized by means of (2+1) resonance-enhanced multiphoton ionization and ion time-of-flight techniques.

A New method for neutron-beam-line shielding calculation

Maekawa, Fujio; Tamura, Masaya; Kawai, Masayoshi*; Furusaka, Michihiro*; Watanabe, Noboru

Proceedings of ICANS-XVI, Volume 3, p.1247 - 1255, 2003/07

A method for neutron-beam-line shielding calculation with a Monte Carlo code was newly developed. In the first step, components inside the biological shield such as a target-moderator-reflector-assembly and a neutron-beam-line were modeled, and a neutron current distribution along a duct of the neutron-beam-line was calculated. In the second step, decreases of neutron current along the beam-line were regarded as source terms for the beam-line shield, and required beam-line shield thickness was calculated. The most remarkable feature of this method was accurate treatment of the neutron source term distribution along the beam-line in the second step calculation. The followings were evaluated for JSNS by applying this method: (1) neutron-beam-line shield thickness with an empirical formula for estimating shield thickness conveniently, (2) beam stop sizes, (3) dose rates at a sample position when a shutter was closed, and (4) activation level of a To-chopper blade. These results gave conditions for determining the layout of 23 neutron-beam-lines in the experimental hall.

Design of 1 MW spallation neutron source under the High-intensity Proton Accelerator Project; Design of helium vessel

Honmura, Shiro*; Teraoku, Takuji*; Yoshida, Katsuhiko*; Takada, Hiroshi; Maekawa, Fujio; Kasugai, Yoshimi; Hino, Ryutaro; Watanabe, Noboru; Furusaka, Michihiro

JAERI-Tech 2003-054, 62 Pages, 2003/06

JAERI-Tech-2003-054.pdf:9.53MB

The JAERI and the KEK are jointly on the way of constructing facilities under the High-Intensity Proton Accelerator Project (J-PARC). The Materials and Life Science Facility is one of major facilities comprising a 1MW pulsed neutron source (JSNS). The neutrons are to be utilized for advanced researches in fields of materials and life science, and so on. In designing helium-vessel, it is important to assure structural integrity of the helium-vessel against earthquakes. It is also important to manufacture accurately neutron view ports. In-vessel components need to be replaced by remote handling after a certain period of operation due to radiation damages. To make the replacement steadily and easily, the helium-vessel has to provide suitable support, positioning and sealing structures. This report describes bases and conditions for deigning the helium-vessel, and summarizes basic structural specifications of the helium-vessel which are determined with structure strength and temperature analyses.