Numerical verification for the effect of suppressing hydrogen embrittlement by Sn doping in the Al-Zn-Mg alloy

Ebihara, Kenichi; Fujihara, Hiro*; Shimizu, Kazuyuki*; Yamaguchi, Masatake; Toda, Hiroyuki*

International Journal of Hydrogen Energy, 136, p.751 - 756, 2025/06

https://doi.org/10.1016/j.ijhydene.2024.05.146

It has been experimentally reported that adding tin (Sn) to high-strength aluminum-zinc-magnesium (Al-Zn-Mg) alloys effectively suppresses hydrogen (H) embrittlement, which may be attributed to H absorption by the second-phase particles of Sn. To verify this fact, a simulation of H entry into the Sn phase in Al was performed using a model based on the reaction-diffusion equation that incorporates the solid solution energy of H evaluated by first-principles calculations. The results showed that the H solid solution site concentration of the second-phase particles must be at least five times higher than that of the Al phase for H absorption by the Sn second-phase particles to suppress H embrittlement. Therefore, the actual H embrittlement suppression effect of Sn second-phase particles is limited, and other factors may influence the suppression of H embrittlement in the experiment.

Novel approach to explore hydrogen trapping sites in aluminum; Integrating Muon spin relaxation with first-principles calculations

Shimizu, Kazuyuki*; Nishimura, Katsuhiko*; Matsuda, Kenji*; Nunomura, Norio*; Namiki, Takahiro*; Tsuchiya, Taiki*; Akamaru, Satoshi*; Lee, S.*; Tsuru, Tomohito; Higemoto, Wataru; et al.

International Journal of Hydrogen Energy, 95, p.292 - 299, 2024/12

https://doi.org/10.1016/j.ijhydene.2024.11.265

Zero-field muon spin relaxation experiments were conducted on Al-0.06%Mn, Al-0.06%Cr, Al-0.02%Fe, and Al-0.02%Ni alloys (at.%) across the temperature ranging from 5 to 300 K. The temperature-dependent variations of the dipole field widths () elucidated four distinct peaks for the prepared alloys. Atomic configurations of the muon trapping sites corresponding to the observed peaks below 200 K were meticulously characterized utilizing first-principles calculations for the trapping energies of hydrogen in proximity to a solute and solute-vacancy pair. This comprehensive analysis facilitated the establishment of a linear correlation between the muon peak temperature and the hydrogen trapping energy. However, significant deviations from this linear relationship were observed for the fourth peaks above 200 K in Al-Mn, Al-Cr, Al-Fe, and Al-Ni alloys. This discrepancy can be interpreted by considering the disparate distribution functions of muon and hydrogen within the tetrahedral site, wherein two of the four Al atoms are substituted by the solute element and vacancy (solute-vacancy pair).

Study on microwave power dependency of electron spin resonance spectrum of carbonate radicals in teeth

Iwami, Satone*; Yamashita, Takuma*; Mitsuyasu, Yusuke*; Ono, Kenta*; Oka, Toshitaka; Takahashi, Atsushi*; Kino, Yasushi*; Sekine, Tsutomu*; Shimizu, Yoshinaka*; Chiba, Mirei*; et al.

KEK Proceedings 2024-6, p.91 - 95, 2024/12

We aim to improve the detection limit of the ESR dosimetry method. In this study, the saturation behavior of each radical was investigated by varying the microwave power during ESR measurement. Based on the difference in spin relaxation time between carbonate radicals and native radicals, it is expected that the signal-to-noise ratio improves and the detection limit can be lowered when the microwave power is increased to 4.0 mW.

Plastic constraint correction factor for brittle fracture in ductile-brittle transition temperature region

Hojo, Kiminobu*; Hirota, Takatoshi*; Nagoshi, Yasuto*; Fukahori, Takuya*; Shimizu, Kazuma*; Shimodaira, Masaki; Ogawa, Takuya*; Yashirodai, Kenji*; Ohata, Mitsuru*; Minami, Fumiyoshi*

Proceedings of ASME 2024 Pressure Vessels & Piping Conference (PVP 2024) (Internet), 9 Pages, 2024/07

https://doi.org/10.1115/PVP2024-123140

no abstracts in English

Combining muon spin relaxation and DFT simulations of hydrogen trapping in AlMn

Shimizu, Kazuyuki*; Nishimura, Katsuhiko*; Matsuda, Kenji*; Akamaru, Satoshi*; Nunomura, Norio*; Namiki, Takahiro*; Tsuchiya, Taiki*; Lee, S.*; Higemoto, Wataru; Tsuru, Tomohito; et al.

Scripta Materialia, 245, p.116051_1 - 116051_6, 2024/05

https://doi.org/10.1016/j.scriptamat.2024.116051

Hydrogen at the mass ppm level causes hydrogen embrittlement in metallic materials, but it is extremely difficult to experimentally elucidate the hydrogen trapping sites. We have taken advantage of the fact that positive muons can act as light isotopes of hydrogen to study the trapping state of hydrogen in matter. Zero-field muon spin relaxation experiments and the density functional theory (DFT) calculations for hydrogen trapping energy are carried out for AlMn. The DFT calculations for hydrogen in AlMn have found four possible trapping sites in which the hydrogen trapping energies are 0.168 (site 1), 0.312 (site 2), 0.364 (site 3), and 0.495 (site 4) in the unit of eV/atom. Temperature variations of the deduced dipole field width () indicated step-like changes at temperatures, 94, 193, and 236 K. Considering their site densities, the observed change temperatures are interpreted by trapping muons at sites 1, 3, and 4.

High sensitivity of a future search for effects of -odd/-odd interactions on the 0.75 eV -wave resonance in + forward transmission determined using a pulsed neutron beam

Nakabe, Rintaro*; Auton, C. J.*; Endo, Shunsuke; Fujioka, Hiroyuki*; Gudkov, V.*; Hirota, Katsuya*; Ide, Ikuo*; Ino, Takashi*; Ishikado, Motoyuki*; Kambara, Wataru*; et al.

Physical Review C, 109(4), p.L041602_1 - L041602_4, 2024/04

https://doi.org/10.1103/PhysRevC.109.L041602

Assessment of hydrogen embrittlement behavior in Al-Zn-Mg alloy through multi-modal 3D image-based simulation

Fujihara, Hiro*; Toda, Hiroyuki*; Ebihara, Kenichi; Kobayashi, Masakazu*; Mayama, Tsuyoshi*; Hirayama, Kyosuke*; Shimizu, Kazuyuki*; Takeuchi, Akihisa*; Uesugi, Masayuki*

International Journal of Plasticity, 174, p.103897_1 - 103897_22, 2024/03

https://doi.org/10.1016/j.ijplas.2024.103897

Hydrogen(H) embrittlement in high-strength aluminum(Al) alloys is a crucial problem. H accumulation at the interface of precipitates in Al alloy is considered to cause embrittlement. However, there is no quantitative knowledge regarding the interaction between H distribution and stress field near cracks. In this study, using a multi-modal three-dimensional image-based simulation combining the crystal plasticity finite element method and H diffusion analysis, we tried to capture the stress distribution near the crack, its influence on the H distribution, and the probability of crack initiation in the experimental condition. As a result, it was found that grain boundary cracks transition to quasi-cleavage cracks in the region where the cohesive energy of the semi-coherent interface of MgZn precipitates decreases due to H accumulation near the tip. We believe the present simulation method successfully bridges nanoscale delamination and macroscale brittle fracture.

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.

Ga K-edge XANES study of Ga-exchanged zeolites at high temperatures under different atmospheres including vacuum, CO, and pressurized H

Huang, M.*; Kinjo, Tetsuya*; Yasumura, Shunsaku*; Toyao, Takashi*; Matsumura, Daiju; Saito, Hiroyuki*; Shimizu, Kenichi*; Namiki, Norikazu*; Maeno, Zen*

Catalysis Science & Technology, 13(23), p.6832 - 6838, 2023/12

https://doi.org/10.1039/D3CY01250F

Estimation of external dose for wild Japanese macaques captured in Fukushima prefecture; Decomposition of electron spin resonance spectrum

Mitsuyasu, Yusuke*; Oka, Toshitaka; Takahashi, Atsushi*; Kino, Yasushi*; Okutsu, Kenichi*; Sekine, Tsutomu*; Yamashita, Takuma*; Shimizu, Yoshinaka*; Chiba, Mirei*; Suzuki, Toshihiko*; et al.

Radiation Protection Dosimetry, 199(14), p.1620 - 1625, 2023/09

https://doi.org/10.1093/rpd/ncad146

We have been conducting dose assessments for Japanese macaques captured in Fukushima to reveal radiobiological effects on the low-dose expose animals. To accurately determine the external exposure dose, it is desirable to examine the analysis of the CO radical intensity. We examined ESR spectra of teeth of 10 macaques captured in Fukushima by two spectrum-decomposition algorithms.