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).

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.

Onset of collectivity for argon isotopes close to

Linh, B. D.*; Corsi, A.*; Gillibert, A.*; Obertelli, A.*; Doornenbal, P.*; Barbieri, C.*; Duguet, T.*; Gmez-Ramos, M.*; Holt, J. D.*; Hu, B. S.*; et al.

Physical Review C, 109(3), p.034312_1 - 034312_15, 2024/03

https://doi.org/10.1103/PhysRevC.109.034312

no abstracts in English

Hydrogen embrittlement and its prevention in 7XXX aluminum alloys with high Zn concentrations

Shimizu, Kazuyuki*; Toda, Hiroyuki*; Fujihara, Hiro*; Yamaguchi, Masatake; Uesugi, Masayuki*; Takeuchi, Akihisa*; Nishijima, Masahiko*; Kamada, Yasuhiro*

Corrosion, 79(8), p.818 - 830, 2023/08

https://doi.org/10.5006/4300

7xxx aluminum alloys are representative high-strength aluminum alloys; however, mechanical property degradation due to hydrogen hinders further strengthening. We propose the dispersion of Mn-based second-phase particles as a novel technique for preventing 7xxx aluminum alloy hydrogen embrittlement. In this study, the deformation and fracture behaviors of high hydrogen 7xxx alloys containing 0.0% Mn and 0.6% Mn are observed in situ using synchrotron radiation X-ray tomography. The obtained macroscopic hydrogen embrittlement is quantitatively analyzed based on hydrogen partitioning in alloys. Adding 0.6% Mn, generating second-phase particles with high hydrogen trapping abilities, significantly suppresses hydrogen-induced quasicleavage fracture.

Level structures of Ca cast doubt on a doubly magic 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

https://doi.org/10.1016/j.physletb.2023.138025

Gamma decays were observed in Ca and Ca following quasi-free one-proton knockout reactions from Sc. For Ca, a ray transition was measured to be 1456(12) keV, while for Ca an indication for a transition was observed at 1115(34) keV. Both transitions were tentatively assigned as the decays. A shell-model calculation in a wide model space with a marginally modified effective nucleon-nucleon interaction depicts excellent agreement with experiment for 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 and orbitals, are almost degenerate. This degeneracy precludes the possibility for a doubly magic Ca and potentially drives the dripline of Ca isotopes to Ca or even beyond.

Identification of hydrogen trapping in aluminum alloys muon spin relaxation method and first-principles calculations

Tsuru, Tomohito; Nishimura, Katsuhiko*; Matsuda, Kenji*; Nunomura, Norio*; Namiki, Takahiro*; Lee, S.*; Higemoto, Wataru; Matsuzaki, Teiichiro*; Yamaguchi, Masatake; Ebihara, Kenichi; et al.

Metallurgical and Materials Transactions A, 54(6), p.2374 - 2383, 2023/06

https://doi.org/10.1007/s11661-023-07024-w

Although hydrogen embrittlement susceptibility of high-strength Al alloys is recognized as a critical issue in the practical use of Al alloys, identifying the hydrogen trapping or distribution has been challenging. In the present study, an effective approach based on experiment and simulation is proposed to explore the potential trap sites in Al alloys. Zero-field muon spin relaxation experiments were carried out for Al-0.5%Mg, Al-0.2%Cu, Al-0.15%Ti, Al-0.011%Ti, Al-0.28%V, and Al-0.015%V (at.%) in the temperature range from 5 to 300 K. The temperature variations of the dipole field widths have revealed three peaks for Al-0.5%Mg, four peaks for Al-0.2%Cu, three peaks for Al-0.011%Ti and Al-0.015%V. Atomic configurations of the muon trapping sites corresponding to the observed peaks are well assigned using the first-principles calculations for the trap energies of hydrogen around a solute and solute-vacancy pair. The extracted linear relationship between the muon peak temperature and the trap energy enables us to explore the potential alloying elements and their complex that have strong binding energies with hydrogen in Al alloys.

A First glimpse at the shell structure beyond Ca; Spectroscopy of K, Ca, and Ca

Koiwai, Takuma*; Wimmer, K.*; Doornenbal, P.*; Obertelli, A.*; Barbieri, C.*; Duguet, T.*; Holt, J. D.*; Miyagi, Takayuki*; Navrtil, P.*; Ogata, Kazuyuki*; et al.

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

AA2021-0775.pdf:0.62MB

https://doi.org/10.1016/j.physletb.2022.136953

no abstracts in English

Activity for improvement of reprocessing plant quality assurance system; Transition to decommissioning stage, complying with new regulatory requirements for new inspection program, giving up ISO 9001 certification; Operations report FY 2012-2019

Yoshinaka, Kazuyuki; Shimizu, Kazuyuki; Sugiyama, Takayuki

JAEA-Review 2021-008, 112 Pages, 2021/07

JAEA-Review-2021-008.pdf:5.99MB

We had drastically been improving quality assurance system for Tokai Reprocessing Plant (TRP), through applying new regulatory requirements, giving up ISO certification from FY2012 to 2019. In revising QA system, it is obviously necessary to satisfy the regulatory requirements, but it is important to continuously improve the QA system considering effectiveness to safety performance based on earlier experiences. In this report, the background of QA system revision, interpretation and thinking way of conformation and application to new regulation and "Application Guide to Quality Assurance Code for Safety in Nuclear Power Plants (JEAC 4111)" to TRP, issues considered. And matters that require attention for future QA activities are described. Key points are "in work processes planning, relationship with other sections and responsibility boundaries should be clearly defined with such as flow chart", "to manage decision-making processes is important, including input information, judgment criteria and so on", "concerning process monitoring and measurement, not only focusing on scheduling but also viewpoints toward conditions of facilities/systems, conformance to regulatory requirements and process improvement are necessary", and "in documentation, matching for existing system, clear relation to other fundamental documents are necessary".

= 32 shell closure below calcium; Low-lying structure of Ar

Corts, M. L.*; Rodriguez, W.*; Doornenbal, P.*; Obertelli, A.*; Holt, J. D.*; Menndez, 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

https://doi.org/10.1103/PhysRevC.102.064320

Low-lying excited states in the = 32 isotope Ar were investigated by in-beam -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 coincidences was compared to shell-model calculations in the model space and to 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 state could also correspond to a 2 state.