Atomic position and the chemical state of an active Sn dopant for Sn-doped -GaO(001)

Tsai, Y. H.*; Kobata, Masaaki; Fukuda, Tatsuo; Tanida, Hajime; Kobayashi, Toru; Yamashita, Yoshiyuki*

Applied Physics Letters, 124(11), p.112105_1 - 112105_5, 2024/03

https://doi.org/10.1063/5.0198160

Intercalative and non-intercalative photo-recharge using all-solid-state cells for solar energy conversion and storage

Yoshimoto, Masataka*; Tamura, Kazuhisa; Watanabe, Kenta*; Shimizu, Keisuke*; Horisawa, Yuhei*; Kobayashi, Takeshi*; Tsurita, Hanae*; Suzuki, Kota*; Kanno, Ryoji*; Hirayama, Masaaki*

Sustainable Energy & Fuels (Internet), 8(6), p.1236 - 1244, 2024/03

https://doi.org/10.1039/D3SE01636F

Photo-rechargeable systems, which can efficiently convert and store solar energy into chemical energy within single devices, are essential to harness sunlight effectively. Photo-(de)intercalation plays a pivotal role in the functionality of photorechargeable systems. Nevertheless, the photo-(de)intercalation process has not been conclusively confirmed owing to potential interference from side reactions, such as the decomposition of liquid electrolytes and the elution of electrode materials. In this study, we successfully demonstrated photo-responsive Li-deintercalation using an all-solid-state thin-film battery comprised of epitaxially-grown anatase TiO doped with Nb (a-TiO:Nb) as the cathode. Under light irradiation, Li-deintercalation occurred and was subsequently reversibly intercalated into a-TiO:Nb during discharge.

Slightly hydrogen-ordered state of ice IV evidenced by 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

https://doi.org/10.1021/acs.jpclett.3c02563

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 powder neutron diffraction experiments for DCl-doped DO 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.

Estimation of temporal variation of discharged inventory of radioactive strontium Sr (Sr) from port of Fukushima Daiichi Nuclear Power Plant; Analysis of the temporal variation from the accident to March 2022 and evaluation of its impact on Fukushima coast and offshore areas

Machida, Masahiko; Iwata, Ayako; Yamada, Susumu; Otosaka, Shigeyoshi*; Kobayashi, Takuya; Funasaka, Hideyuki*; Morita, Takami*

Nihon Genshiryoku Gakkai Wabun Rombunshi (Internet), 22(4), p.119 - 139, 2023/11

https://doi.org/10.3327/taesj.J22.016

We estimate monthly discharged inventory of Sr from port of Fukushima Daiichi Nuclear Power Plant (1F) from Jun. 2013 to Mar. 2022 by using the Voronoi tessellation method inside the port, following the monitoring of Sr sea water radioactivity concentration inside the port. The results suggest that the closure of sea side impermeable wall is the most effective for the reduction of discharged one. In addition, the results roughly reveal the monthly discharged inventory required to observe visible enhancement of the sea radioactivity concentration from the background level in each area. Such outcome is significant for considering environmental impacts on the planned future releasing of the treated water accumulated in 1F site.

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

https://doi.org/10.1038/s41598-023-44732-0

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.

Debris-simulated core analysis under fuel procurement constraints in new STACY experiments

Araki, Shohei; Gunji, Satoshi; Arakaki, Yu; Yoshikawa, Tomoki; Murakami, Takahiko; Kobayashi, Fuyumi; Izawa, Kazuhiko; Suyama, Kenya

Proceedings of 12th International Conference on Nuclear Criticality Safety (ICNC2023) (Internet), 8 Pages, 2023/10

New experiments simulating fuel debris in the new criticality assembly, STACY, are designed to contribute to the validation of criticality calculations for criticality control of the fuel debris in the Fukushima Daiichi Nuclear Power Plant accident. In the new STACY experiment, a two-region core consisting of a driver region and a test region was investigated in order to configure a debris-simulated core with under-moderation condition (lattice pitch 1.27-cm) having the constraint of available fuel rod number. The test region with a 1.27-cm lattice pitch is surrounded by the driver region, in which fuel rods are arranged in a checkerboard pattern on a 1.27-cm lattice plate, with a 1.80-cm lattice pitch. Neutron spectra and sensitivity were calculated by using MCNP6 and ENDF/B-VII. The core which has a 1717 test region with 373 fuel rods is the largest two-region core under the constraint. It was found that the core which has a 1717 test region can simulate the neutron spectra of under-moderation condition in a 1313 region inside the test region with the root-mean square percentage error of less than 5%. It was also confirmed that the sensitivity of Si and Ca (n,) reactions when the concrete simulant, was loaded could be simulated.

A Terrestrial SER Estimation Methodology Based on Simulation Coupled With One-Time Neutron Irradiation Testing

Abe, Shinichiro; Hashimoto, Masanori*; Liao, W.*; Kato, Takashi*; Asai, Hiroaki*; Shimbo, Kenichi*; Matsuyama, Hideya*; Sato, Tatsuhiko; Kobayashi, Kazutoshi*; Watanabe, Yukinobu*

IEEE Transactions on Nuclear Science, 70(8, Part 1), p.1652 - 1657, 2023/08

https://doi.org/10.1109/TNS.2023.3280190

Single event upsets (SEUs) caused by neutrons is a reliability problem for microelectronic devices in the terrestrial environment. Acceleration tests using white neutron beam provide realistic soft error rates (SERs), but only a few facilities can provide white neutron beam in the world. If single-source irradiation applicable to diverse neutron source can be utilized for the evaluation of the SER in the terrestrial environment, it contributes to solve the shortage of beam time. In this study, we investigated the feasibility of the SER estimation in the terrestrial environment by any one of these measured data with the SEU cross sections obtained by PHITS simulation. It was found that the SERs estimated by our proposed method are within a factor of 2.7 of that estimated by the Weibull function. We also investigated the effect of simplification which reduce the computational cost in simulation to the SER estimation.

Equipment renewal, facility improvement, and dismantling / removal in the glove-box at basic laboratory of Plutonium Conversion Development Facility

Umino, Yoshinori; Kato, Keisuke; Tanigawa, Masafumi; Kobayashi, Daisuke; Obu, Tomoyuki; Kimura, Yuichi*; Nemoto, Ryo*; Tajiri, Kazuma*

Nihon Hozen Gakkai Dai-19-Kai Gakujutsu Koenkai Yoshishu, p.33 - 36, 2023/08

In the basic laboratory of the Plutonium Conversion Development Facility in Tokai Reprocessing Plant, tests had been conducted to obtain effective data for manufacturing mixed plutonium and uranium oxide powder by irradiating a mixture of plutonium and uranium solution with microwaves. The test has already been completed, and we are currently dismantling and removing equipment. In this paper, techniques related to equipment renewal, dismantling and removal works inside the glove-box are discussed.

Intruder configurations in Ne at the transition into the island of inversion; Detailed structure study of Ne

Wang, H.*; Yasuda, Masahiro*; Kondo, Yosuke*; Nakamura, Takashi*; Tostevin, J. A.*; Ogata, Kazuyuki*; Otsuka, Takaharu*; Poves, A.*; Shimizu, Noritaka*; Yoshida, Kazuki; et al.

Physics Letters B, 843, p.138038_1 - 138038_9, 2023/08

https://doi.org/10.1016/j.physletb.2023.138038

Detailed -ray spectroscopy of the exotic neon isotope Ne has been performed using the one-neutron removal reaction from Ne. Based on an analysis of parallel momentum distributions, a level scheme with spin-parity assignments has been constructed for Ne and the negative-parity states are identified for the first time. The measured partial cross sections and momentum distributions reveal a significant intruder p-wave strength providing evidence of the breakdown of the N = 20 and N = 28 shell gaps. Only a weak, possible f-wave strength was observed to bound final states. Large-scale shell-model calculations with different effective interactions do not reproduce the large p-wave and small f-wave strength observed experimentally, indicating an ongoing challenge for a complete theoretical description of the transition into the island of inversion along the Ne isotopic chain.

Formation of high-quality SiO/GaN interfaces with suppressed Ga-oxide interlayer via sputter deposition of SiO

Onishi, Kentaro*; Kobayashi, Takuma*; Mizobata, Hidetoshi*; Nozaki, Mikito*; Yoshigoe, Akitaka; Shimura, Takayoshi*; Watanabe, Heiji*

Japanese Journal of Applied Physics, 62(5), p.050903_1 - 050903_4, 2023/05

https://doi.org/10.35848/1347-4065/acd1ca

While the formation of an GaO interlayer is key to achieving SiO/GaN interfaces with low defect density, it can affect the reliability and stability of metal-oxide-semiconductor (MOS) devices if the annealing conditions are not properly designed. In the present study, we aimed to minimize the growth of the GaO layer on the basis of the sputter deposition of SiO on GaN. Synchrotron radiation X-ray photoelectron spectrometry measurements confirmed the suppressed growth of the GaO layer compared with a SiO/GaN structure formed by plasma-enhanced chemical vapor deposition. Negligible GaO growth was also observed when subsequent oxygen annealing up to 600C was performed. A MOS device with negligible capacitance-voltage hysteresis, nearly ideal flat-band voltage, and low leakage current was demonstrated by performing oxygen and forming gas annealing at temperatures of 600C and 400C, respectively.