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Secondary grain boundary dislocations alter segregation energy spectra

Author

Listed:
  • Xinren Chen

    (Max-Planck-Institut for Sustainable Materials)

  • William Gonçalves

    (Université Lyon I, MATEIS, INSA Lyon, CNRS UMR 5510)

  • Yi Hu

    (Max-Planck-Institut for Sustainable Materials)

  • Yipeng Gao

    (Max-Planck-Institut for Sustainable Materials)

  • Patrick Harrison

    (Université Grenoble Alpes)

  • Gerhard Dehm

    (Max-Planck-Institut for Sustainable Materials)

  • Baptiste Gault

    (Max-Planck-Institut for Sustainable Materials
    Imperial College London)

  • Wolfgang Ludwig

    (Université Lyon I, MATEIS, INSA Lyon, CNRS UMR 5510)

  • Edgar Rauch

    (Université Grenoble Alpes)

  • Xuyang Zhou

    (Max-Planck-Institut for Sustainable Materials)

  • Dierk Raabe

    (Max-Planck-Institut for Sustainable Materials)

Abstract

Grain boundaries (GBs) trigger structure-specific chemical segregation of solute atoms. According to the three-dimensional (3D) topology of grains, GBs - although defined as two-dimensional defects - cannot practically be free of curvature. This leads to discrete variations in the GB plane orientations. Topologically required arrays of secondary GB dislocations accommodate these variations as well as deviations from ideal coincidence site lattice GBs. We report here that these pattern-forming secondary GB dislocations can have an additional and, in some cases, even a much stronger effect on GB segregation than defect-free GBs. Using nanoscale correlative tomography combining crystallography and chemical analysis, we quantified the relationship between secondary GB dislocations and their segregation energy spectra for a model Fe-W alloy. This discovery unlocks design opportunities for advanced materials, leveraging the additional degrees of freedom provided by topologically-necessary secondary GB dislocations to modulate segregation.

Suggested Citation

  • Xinren Chen & William Gonçalves & Yi Hu & Yipeng Gao & Patrick Harrison & Gerhard Dehm & Baptiste Gault & Wolfgang Ludwig & Edgar Rauch & Xuyang Zhou & Dierk Raabe, 2025. "Secondary grain boundary dislocations alter segregation energy spectra," Nature Communications, Nature, vol. 16(1), pages 1-12, December.
    • Handle: RePEc:nat:natcom:v:16:y:2025:i:1:d:10.1038_s41467-025-64265-6
    DOI: 10.1038/s41467-025-64265-6
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    References listed on IDEAS

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    1. Xuyang Zhou & Ali Ahmadian & Baptiste Gault & Colin Ophus & Christian H. Liebscher & Gerhard Dehm & Dierk Raabe, 2023. "Atomic motifs govern the decoration of grain boundaries by interstitial solutes," Nature Communications, Nature, vol. 14(1), pages 1-11, December.
    2. Gerald Costa & Celia Castro & Antoine Normand & Charly Vaudolon & Aidar Zakirov & Juan Macchi & Mohammed Ilhami & Kaveh Edalati & François Vurpillot & Williams Lefebvre, 2024. "Bringing atom probe tomography to transmission electron microscopes," Nature Communications, Nature, vol. 15(1), pages 1-7, December.
    3. Malik Wagih & Peter M. Larsen & Christopher A. Schuh, 2020. "Learning grain boundary segregation energy spectra in polycrystals," Nature Communications, Nature, vol. 11(1), pages 1-9, December.
    4. Thorsten Meiners & Timofey Frolov & Robert E. Rudd & Gerhard Dehm & Christian H. Liebscher, 2020. "Observations of grain-boundary phase transformations in an elemental metal," Nature, Nature, vol. 579(7799), pages 375-378, March.
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