Abstract Scope |
Grain boundaries (GBs)—even with the same macroscopic parameters—can exhibit different structures, which can be described as interface phases (called “complexions” or simply “GB phases”). Here, we will present some results from combined atomic-resolution STEM and atomistic simulations that reveal the existence and phase transition behavior of two GB phases, called “pearl” and “domino”, in Σ37c [111] tilt GBs (Langenohl et al., Nat. Commun., 2022). While such studies provide valuable insights, they leave open the question if the results are generalizable or specific to special GBs. We therefore used atomistic computer simulations with (M)EAM potentials to investigate a range of [111] tilt GBs in Ni, Cu, Pd, Ag, Au, Al, and Pb (Brink et al., Phys. Rev. B, 2023). We find that the pearl and domino phases are indeed universal, but that their GB energies and phase transitions are material dependent. [Funded by ERC grant no. 787446.] |