New approach to understanding the experimental Cs NMR chemical shift of clay minerals via machine learning and DFT-GIPAW calculations

Okubo, Takahiro*; Takei, Akihiro*; Tachi, Yukio; Fukatsu, Yuta; Deguchi, Kenzo*; Oki, Shinobu*; Shimizu, Tadashi*

Journal of Physical Chemistry A, 127(4), p.973 - 986, 2023/02

https://doi.org/10.1021/acs.jpca.2c08880

The identification of adsorption sites of Cs on clay minerals has been studied in the fields of environmental chemistry. The nuclear magnetic resonance (NMR) experiments allow direct observations of the local structures of adsorbed Cs. The NMR parameters of Cs, derived from solid-state NMR experiments, are sensitive to the local neighboring structures of adsorbed Cs. However, determining the Cs positions from NMR data alone is difficult. This paper describes an approach for identifying the expected atomic positions of Cs adsorbed on clay minerals by combining machine learning (ML) with experimentally observed chemical shifts. A linear ridge regression model for ML is constructed from the smooth overlap of atomic positions descriptor and gauge-including projector augmented wave (GIPAW) ab initio data. The Cs chemical shifts can be instantaneously calculated from the Cs positions on any clay layers using ML. The inverse analysis from the ML model can derive the atomic positions from experimentally observed chemical shifts.

Electric monopole transition from the superdeformed band in Ca

Ideguchi, Eiji*; Kibdi, T.*; Dowie, J. T. H.*; Hoang, T. H.*; Kumar Raju, M.*; Aoi, Nori*; Mitchell, A. J.*; Stuchbery, A. E.*; Shimizu, Noritaka*; Utsuno, Yutaka; et al.

Physical Review Letters, 128(25), p.252501_1 - 252501_6, 2022/06

https://doi.org/10.1103/PhysRevLett.128.252501

no abstracts in English

Structure of the isomeric state in La

Laskar, Md. S. R.*; Palit, R.*; Mishra, S. N.*; Shimizu, Noritaka*; Utsuno, Yutaka; Ideguchi, Eiji*; Garg, U.*; Biswas, S.*; Babra, F. S.*; Gala, R.*; et al.

Physical Review C, 101(3), p.034315_1 - 034315_8, 2020/03

https://doi.org/10.1103/PhysRevC.101.034315

no abstracts in English

Design study of beam window for accelerator-driven system with subcriticality adjustment rod

Sugawara, Takanori; Eguchi, Yuta; Obayashi, Hironari; Iwamoto, Hiroki; Matsuda, Hiroki; Tsujimoto, Kazufumi

Proceedings of 26th International Conference on Nuclear Engineering (ICONE-26) (Internet), 10 Pages, 2018/07

A new beam window concept for accelerator-driven system (ADS) is investigated by changing the design condition. The most important factor for the beam window design is the proton beam current. The design condition will be mitigated if the proton beam current will be reduced. To reduce the proton beam current, a subcriticality adjustment rod (SAR) which was a BC control rod was employed and neutronics calculations were performed by ADS3D code. The results of the neutronics calculation indicated that the proton beam current was reduced from 20mA to 13.5mA by the installation of SARs. Based on the mitigated calculation condition, the investigation of the beam window was performed by the couple analyses of the particle transport, the thermal hydraulics and the structural analysis. Through these coupled analyses, more feasible beam window concept which was the hemispherical shape, the outer diameter = 470mm, the thickness at the top = 3.5mm and factor of safety =9 was presented.

Conceptual design study of beam window for accelerator-driven system with subcriticality adjustment rod

Sugawara, Takanori; Eguchi, Yuta; Obayashi, Hironari; Iwamoto, Hiroki; Tsujimoto, Kazufumi

Nuclear Engineering and Design, 331, p.11 - 23, 2018/05

https://doi.org/10.1016/j.nucengdes.2018.02.011

This study aims to perform the coupled analysis for the feasible beam window concept. To mitigate the design condition, namely to reduce the necessary proton beam current, subcriticality adjustment rod (SAR) was installed to the ADS core. The burnup analysis was performed for the ADS core with SAR and the results indicated that the maximum proton beam current during the burnup cycle was reduced from 20 to 13.5 mA. Based on the burnup analysis result, the coupled analysis; particle transport, thermal hydraulics and structural analyses, was performed. As the final result, the most robust beam window design; the hemisphere shape, the outer radius = 235 mm, the thickness at the top of the beam window = 3.5 mm and the factor of safety for the buckling = 9.0, was presented. The buckling pressure was 2.2 times larger than the previous one and more feasible beam window concept was presented through this study.

Low- shore of the "island of inversion" and the reduced neutron magicity toward O

Doornenbal, P.*; Scheit, H.*; Takeuchi, Satoshi*; Utsuno, Yutaka; Aoi, Nori*; Li, K.*; Matsushita, Masafumi*; Steppenbeck, D.*; Wang, H.*; Baba, Hidetada*; et al.

Physical Review C, 95(4), p.041301_1 - 041301_5, 2017/04

AA2017-0008.pdf:0.46MB

https://doi.org/10.1103/PhysRevC.95.041301

no abstracts in English

Fabrication and test results of testing equipment for remote-handling of MA fuel, 3; Testing equipment for fuel loading

Tazawa, Yujiro; Nishihara, Kenji; Sugawara, Takanori; Tsujimoto, Kazufumi; Sasa, Toshinobu; Eguchi, Yuta; Kikuchi, Masashi*; Inoue, Akira*

JAEA-Technology 2016-029, 52 Pages, 2016/12

JAEA-Technology-2016-029.pdf:5.34MB

Transmutation Physics Experimental Facility (TEF-P) planned in the J-PARC project uses minor actinide (MA) fuels in the experiments. These MA fuels are highly-radioactive, so the fuel handling equipment in TEF-P is necessary to be designed as remote-handling system. This report summarizes fabrication and test results of the testing equipment for fuel loading that is one of components of the testing equipment for remote-handling of MA fuels. The testing equipment which had a remote-handling system for fuel loading was fabricated. And the test in combination with the mock-up core was performed. Through the test, it was confirmed to load/take the dummy fuel pin to/from the mock-up core without failure. It was shown that the concept design of the fuel loading equipment of TEF-P was reasonable.

Fabrication and test results of testing equipment for remote-handling of MA fuel, 2; Evaluation of heat transfer parameter crossing rectangular lattice matrix

Eguchi, Yuta; Sugawara, Takanori; Nishihara, Kenji; Tazawa, Yujiro; Inoue, Akira; Tsujimoto, Kazufumi

JAEA-Technology 2015-052, 34 Pages, 2016/03

JAEA-Technology-2015-052.pdf:5.02MB

Transmutation Physics Experimental Facility (TEF-P) planned in the J-PARC project uses minor actinide (MA) fuel which has large decay heat. So it is necessary to consider the increase of the core temperature when the core cooling system is stopped. This change of the core temperature was evaluated by thermal conduction analysis. It was found that the impact of thermal insulation in the empty rectangular lattice matrix area was large. So it is necessary to verify reliability and accuracy of heat transfer effect used in this area. Testing equipment was fabricated to verify the accuracy of calculation model for the empty lattice matrix which was the free convection model of sealed fluid. By using this equipment, thermal distribution and one dimensional heat flow through the lattice were measured. It was observed that the actual equivalent thermal conductivity in the lattice was larger than the free convection model. It was also confirmed that the insertion of the aluminum block into the empty lattice could achieve the higher equivalent thermal conductivity. These results could be the useful data for the thermal conduction analysis.

Uncertainty analysis of temperature effect on reactivity in very high temperature reactor critical assembly and establishment of biases for benchmark models

Kitamura, Yasunori; Eguchi, Yuta

Nuclear Science and Engineering, 178(3), p.401 - 413, 2014/11

https://doi.org/10.13182/NSE14-21

Development of a high power gyrotron operating at 28 and 35 GHz

Kariya, Tsuyoshi*; Minami, Ryutaro*; Imai, Tsuyoshi*; Eguchi, Taku*; Sakamoto, Keishi; Mitsunaka, Yoshika*; Numakura, Tomoharu*; Endo, Yoichi*

Plasma and Fusion Research (Internet), 8, p.1205107_1 - 1205107_2, 2013/10

https://doi.org/10.1585/pfr.8.1205107