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Identification of Hydrogen Trapping in Aluminum Alloys Via Muon Spin Relaxation Method and First-Principles Calculations

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Abstract

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. At first, zero-field muon spin relaxation experiments were implemented in the temperature range from 5 K to 300 K. The plot of the temperature dependence of dipole field widths (∆) provides several characteristic peaks corresponding to the hydrogen trapping. Four dilute Al alloys (Al–Mg, Al–Cu, Al–Ti, and Al–V) were chosen to explore the possible trap sites. Atomic configurations of the muon trapping sites corresponding to the observed ∆ peaks are well assigned using the first-principles calculations for the binding energies of hydrogen around a solute and solute-vacancy pair. The extracted linear relationship between the muon ∆ peak temperature and the binding energy enables us to explore the potential alloying elements and their complex that have strong binding energies with hydrogen in Al alloys.

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Acknowledgments

This study was supported by JST CREST (Grant No. JPMJCR1995) and JSPS KAKENHI (Grant Nos. 22K04758, 22H01762). T.T. gratefully acknowledges the financial support from JST PRESTO (Grant No. JPMJPR1998). The muon experiment at the Materials and Life Science Experimental Facility of the J-PARC was performed under a user program (Proposal Nos. 2021B0002, 2022A0003). Simulation was performed on the large-scale parallel computer system of HPE SGI 8600 at JAEA.

Conflict of interest

The authors declare that they have no conflict of interest.

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Authors and Affiliations

  1. Nuclear Science and Engineering Center, Japan Atomic Energy Agency, Tokai, Ibaraki, 319-1195, Japan

    Tomohito Tsuru

  2. Graduate School of Science and Engineering, University of Toyama, Toyama, 930-8555, Japan

    Katsuhiko Nishimura, Kenji Matsuda, Noiro Nunomura, Takahiro Namiki & Seungwon Lee

  3. Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki, 319-1195, Japan

    Wataru Higemoto

  4. RIKEN Nishina Center for Accelerator Based Science, Wako, Saitama, 351-0198, Japan

    Teiichiro Matsuzaki

  5. Center for Computational Science and E-Systems, Japan Atomic Energy Agency, Tokai, Ibaraki, 319-1195, Japan

    Masatake Yamaguchi & Kenichi Ebihara

  6. Faculty of Science and Engineering, Iwate University, Morioka, Iwate, 020-8551, Japan

    Kazuyuki Shimizu

  7. Department of Mechanical Engineering, Kyushu University, Fukuoka, 819-0395, Japan

    Hiroyuki Toda

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  1. Tomohito Tsuru
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Correspondence to Tomohito Tsuru or Katsuhiko Nishimura.

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Manuscritpt submitted October 6, 2022; accepted February 15, 2023.

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Tsuru, T., Nishimura, K., Matsuda, K. et al. Identification of Hydrogen Trapping in Aluminum Alloys Via Muon Spin Relaxation Method and First-Principles Calculations. Metall Mater Trans A 54, 2374–2383 (2023). https://doi.org/10.1007/s11661-023-07024-w

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