Effect of the atomic structure of complexions on the active disconnection mode during shear-coupled grain boundary motion

TL;DR

This study investigates how atomic-scale complexion structures influence disconnection modes and migration directions in shear-coupled grain boundary motion in fcc metals, revealing that atomic structure determines disconnection behavior.

Contribution

It demonstrates that atomic complexion structures significantly affect disconnection modes and migration directions, extending understanding beyond macroscopic boundary parameters.

Findings

Different complexions exhibit distinct disconnection nucleation and propagation stresses.

Atomic structure of complexions determines the active disconnection mode.

Migration direction varies with complexion type and atomic structure.

Abstract

The migration of grain boundaries leads to grain growth in polycrystals and is one mechanism of grain-boundary-mediated plasticity, especially in nanocrystalline metals. This migration is due to the movement of dislocation-like defects, called disconnections, which couple to externally applied shear stresses. While this has been studied in detail in recent years, the active disconnection mode was typically associated with specific macroscopic grain boundary parameters. We know, however, that varying microscopic degrees of freedom can lead to different atomic structures without changing the macroscopic parameters. These structures can transition into each other and are called complexions. Here, we investigate $[11\overline{1}]$ symmetric tilt boundaries in fcc metals, where two complexions -- dubbed domino and pearl -- were observed before. We compare these two complexions for two different misorientations: In $\Sigma19$b $[11\overline{1}]$ $(178)$ boundaries, both complexions exhibit the same disconnection mode. The critical stress for nucleation and propagation of disconnections is nevertheless different for domino and pearl. At low temperatures, the Peierls-like barrier for disconnection propagation dominates, while at higher temperatures the nucleation is the limiting factor. For $\Sigma$7 $[11\overline{1}]$ $(145)$ boundaries, we observed a larger difference. The domino and pearl complexions migrate in different directions under the same boundary conditions. While both migration directions are possible crystallographically, an analysis of the complexions' structural motifs and the disconnection core structures reveals that the choice of disconnection mode and therefore migration direction is directly due to the atomic structure of the grain boundary.