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.

Design for detecting recycling muon after muon-catalyzed fusion reaction in solid hydrogen isotope target

Okutsu, Kenichi*; Yamashita, Takuma*; Kino, Yasushi*; Nakashima, Ryota*; Miyashita, Konan*; Yasuda, Kazuhiro*; Okada, Shinji*; Sato, Motoyasu*; Oka, Toshitaka; Kawamura, Naritoshi*; et al.

Fusion Engineering and Design, 170, p.112712_1 - 112712_4, 2021/09

https://doi.org/10.1016/j.fusengdes.2021.112712

A muonic molecule which consists of two hydrogen isotope nuclei (deuteron (d) or tritium (t)) and a muon decays immediately via nuclear fusion and the muon will be released as a recycling muon, and start to find another hydrogen isotope nucleus. The reaction cycle continues until the muon ends up its lifetime of 2.2 s. Since the muon does not participate in the nuclear reaction, the reaction is so called a muon catalyzed fusion (CF). The recycling muon has a particular kinetic energy (KE) of the muon molecular orbital when the nuclear reaction occurs. Since the KE is based on the unified atom limit where distance between two nuclei is zero. A precise few-body calculation estimating KE distribution (KED) is also in progress, which could be compared with the experimental results. In the present work, we observed recycling muons after CF reaction.

The Possible transition mechanism for the meta-stable phase in the 7xxx aluminium

Bendo, A.*; Matsuda, Kenji*; Nishimura, Katsuhiko*; Nunomura, Norio*; Tsuchiya, Taiki*; Lee, S.*; Marioara, C. D.*; Tsuru, Tomohito; Yamaguchi, Masatake; Shimizu, Kazuyuki*; et al.

Materials Science and Technology, 36(15), p.1621 - 1627, 2020/09

https://doi.org/10.1080/02670836.2020.1821323

Metastable phases in aluminum alloys are the primary nano-scale precipitates which have the biggest contribution to the increase in the tangible mechanical properties. The continuous increase in hardness in the 7xxx aluminum alloys is associated with the phase transformation from clusters or GP-zones to the metastable phase. The transformation which is structural and compositional should occur following the path of the lowest activation energy. This work is an attempt to gain insight into how the structural transformation may occur based on the shortest route of diffusion for the eventual structure to result in that of phase. However, for the compositional transformation to occur, the proposed mechanism may not stand, since it is a prerequisite for the atoms to be at very precise positions in the aluminum lattice, at the very beginning of structural transformation, which may completely differ from that of the GP-zones atomic arrangements.

Effect of copper addition on precipitation behavior near grain boundary in Al-Zn-Mg alloy

Matsuda, Kenji*; Yasumoto, Toru*; Bendo, A.*; Tsuchiya, Taiki*; Lee, S.*; Nishimura, Katsuhiko*; Nunomura, Norio*; Marioara, C. D.*; Lervik, A.*; Holmestad, R.*; et al.

Materials Transactions, 60(8), p.1688 - 1696, 2019/08

https://doi.org/10.2320/matertrans.L-M2019828

no abstracts in English

Abnormally enhanced diamagnetism in Al-Zn-Mg alloys

Nishimura, Katsuhiko*; Matsuda, Kenji*; Lee, S.*; Nunomura, Norio*; Shimano, Tomoki*; Bendo, A.*; Watanabe, Katsumi*; Tsuchiya, Taiki*; Namiki, Takahiro*; Toda, Hiroyuki*; et al.

Journal of Alloys and Compounds, 774, p.405 - 409, 2019/02

https://doi.org/10.1016/j.jallcom.2018.10.037

New precise measurements of muonium hyperfine structure at J-PARC MUSE

Strasser, P.*; Abe, Mitsushi*; Aoki, Masaharu*; Choi, S.*; Fukao, Yoshinori*; Higashi, Yoshitaka*; Higuchi, Takashi*; Iinuma, Hiromi*; Ikedo, Yutaka*; Ishida, Katsuhiko*; et al.

EPJ Web of Conferences, 198, p.00003_1 - 00003_8, 2019/01

https://doi.org/10.1051/epjconf/201919800003

Element specific electronic states and spin-flip-like behavior of Ce in (CeGd)Ni composed of heavy fermion CeNi and ferri-magnet GdNi through XMCD method

Yano, Kazuo*; Okane, Tetsuo; Takeda, Yukiharu; Yamagami, Hiroshi; Fujimori, Atsushi; Nishimura, Katsuhiko*; Sato, Kiyoo*

Physica B; Condensed Matter, 515, p.118 - 125, 2017/06

https://doi.org/10.1016/j.physb.2017.03.012

The electronic states of the three constituent elements in the crystal mixed system between CeNi and GdNi, CeGdNi, were investigated by soft X-ray magnetic circular dichroism (XMCD). Not only Gd 4f but also Ni 3d and Ce 4f electrons were magnetic and both magnetic moments of Ni and Ce were coupled anti-parallel to the direction of the Gd magnetic moment. After saturation, Ce magnetic moment decreased over 2 T and this behavior was explained by a spin-flip behavior of the Ce magnetic moment. In addition, sum rule analysis has revealed that the magnetic moments of Gd 4 f and Ni 3d electrons could retain small values of orbital magnetic moments.

X-ray magnetic circular dichroism study of CeGdNi

Okane, Tetsuo; Takeda, Yukiharu; Yano, Kazuo*; Fujimori, Atsushi; Yamagami, Hiroshi; Nishimura, Katsuhiko*; Ishikawa, Yoshikazu*; Sato, Kiyoo*

JPS Conference Proceedings (Internet), 3, p.011028_1 - 011028_6, 2014/06

https://doi.org/10.7566/JPSCP.3.011028

Overview of national centralized tokamak program; Mission, design and strategy to contribute ITER and DEMO

Ninomiya, Hiromasa; Akiba, Masato; Fujii, Tsuneyuki; Fujita, Takaaki; Fujiwara, Masami*; Hamamatsu, Kiyotaka; Hayashi, Nobuhiko; Hosogane, Nobuyuki; Ikeda, Yoshitaka; Inoue, Nobuyuki; et al.

Journal of the Korean Physical Society, 49, p.S428 - S432, 2006/12

To contribute DEMO and ITER, the design to modify the present JT-60U into superconducting coil machine, named National Centralized Tokamak (NCT), is being progressed under nationwide collaborations in Japan. Mission, design and strategy of this NCT program is summarized.