Stable nanofacets in 111 tilt grain boundaries of face-centered cubic metals

T Brink and L Langenohl and S Pemma and CH Liebscher and G Dehm, PHYSICAL REVIEW MATERIALS, 8, 063606 (2024).

DOI: 10.1103/PhysRevMaterials.8.063606

Grain boundaries can dissociate into facets if that reduces their excess energy. This, however, introduces line defects at the facet junctions, which present a driving force to grow the facets in order to reduce the total number of junctions and thus the system's energy. Often, micrometer -sized facet lengths are observed and facet growth only arrests for kinetic reasons. So far, energetically stable, finite -sized facets have not been observed, even though theoretical stability conditions have already been proposed. Here, we show a case where nanometer-sized facets are indeed stable compared to longer facets in 111 tilt grain boundaries in Cu by atomistic simulation and transmission electron microscopy. The facet junctions lack a Burgers vector component, which is unusual, but which removes the main energy cost of facet junctions. Only attractive interactions via line forces remain, which result from a discontinuity of grain boundary excess stress at the junction. Atomistic simulations predict that the same phenomenon also occurs in at least Al and Ag.

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