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    Sluggish hydrogen diffusion and hydrogen decreasing stacking fault energy in a high-entropy alloy

    Access Status
    Fulltext not available
    Authors
    Xie, Z.
    Wang, Y.
    Lu, Chunsheng
    Dai, L.
    Date
    2021
    Type
    Journal Article
    
    Metadata
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    Citation
    Xie, Z. and Wang, Y. and Lu, C. and Dai, L. 2021. Sluggish hydrogen diffusion and hydrogen decreasing stacking fault energy in a high-entropy alloy. Materials Today Communications. 26: Article No. 101902.
    Source Title
    Materials Today Communications
    DOI
    10.1016/j.mtcomm.2020.101902
    Faculty
    Faculty of Science and Engineering
    School
    School of Civil and Mechanical Engineering
    URI
    http://hdl.handle.net/20.500.11937/82432
    Collection
    • Curtin Research Publications
    Abstract

    © 2020 Elsevier Ltd

    Hydrogen diffusion and its interaction with dislocations play an important role in hydrogen embrittlement, however, such a process in multiple-principal high entropy alloys (HEAs) is still elusive. Here, first-principles calculations were performed to investigate the solution and diffusion of hydrogen and its effect on the stacking fault energy of FeCoNiCrMn. It is shown that the unique lattice distortion in HEAs causes a wide distribution of local hydrogen solution energy, and the trapping of hydrogen in low energy sites increases diffusion barriers. The zigzag path and asymmetry of forward and backward diffusion result in the sluggish diffusion of hydrogen. Furthermore, hydrogen reduces unstable and stable stacking fault energies, originated from the transfer of electron between hydrogen and metal atoms, which promotes formation of deformation twins. This provides a theoretical guidance for designing novel engineering materials with optimal combination of their mechanical properties and hydrogen embrittlement resistance.

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