Atomic motifs govern the decoration of grain boundaries by interstitial solutes

Xuyang Zhou (), Ali Ahmadian, Baptiste Gault, Colin Ophus, Christian H. Liebscher, Gerhard Dehm and Dierk Raabe ()
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Xuyang Zhou: Max-Planck-Institut für Eisenforschung GmbH
Ali Ahmadian: Max-Planck-Institut für Eisenforschung GmbH
Baptiste Gault: Max-Planck-Institut für Eisenforschung GmbH
Colin Ophus: National Center for Electron Microscopy, Molecular Foundry, Lawrence Berkeley National Laboratory
Christian H. Liebscher: Max-Planck-Institut für Eisenforschung GmbH
Gerhard Dehm: Max-Planck-Institut für Eisenforschung GmbH
Dierk Raabe: Max-Planck-Institut für Eisenforschung GmbH

Nature Communications, 2023, vol. 14, issue 1, 1-11

Abstract: Abstract Grain boundaries, the two-dimensional defects between differently oriented crystals, tend to preferentially attract solutes for segregation. Solute segregation has a significant effect on the mechanical and transport properties of materials. At the atomic level, however, the interplay of structure and composition of grain boundaries remains elusive, especially with respect to light interstitial solutes like B and C. Here, we use Fe alloyed with B and C to exploit the strong interdependence of interface structure and chemistry via charge-density imaging and atom probe tomography methods. Direct imaging and quantifying of light interstitial solutes at grain boundaries provide insight into decoration tendencies governed by atomic motifs. We find that even a change in the inclination of the grain boundary plane with identical misorientation impacts grain boundary composition and atomic arrangement. Thus, it is the smallest structural hierarchical level, the atomic motifs, that controls the most important chemical properties of the grain boundaries. This insight not only closes a missing link between the structure and chemical composition of such defects but also enables the targeted design and passivation of the chemical state of grain boundaries to free them from their role as entry gates for corrosion, hydrogen embrittlement, or mechanical failure.

Date: 2023
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DOI: 10.1038/s41467-023-39302-x

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