Deformation-induced grain rotation and grain boundary formation achieved through dislocation-disclination reactions in polycrystalline hexagonal close-packed metals

Grain boundary mediated plasticity (e.g., grain rotation and grain boundary sliding) plays a critical role in determining the deformation behavior of polycrystals, which is especially important for nanocrystalline metals or plastic deformation at elevated temperatures. However, due to the lack of a theoretical framework, the mech-anism of deformation-induced grain rotation has not been well understood. By introducing a disclination-based description, we show that crystal rotation can be captured conveniently through the characteristic rotational vector of a disclination (i.e., the Frank vector). Under the framework of topological defect theory, grain boundary mediated plasticity can be treated as topological reactions between dislocations and disclinations, leading to rigorous predictions of grain/subgrain rotation through a pseudo-inverse solution for the reformulated Frank -Bilby equation. Systematic classifications of grain/subgrain rotation and grain boundary formation are raised for hexagonal close-packed (HCP) metals, which has been validated by Electron-Backscattered Diffraction characterizations in Mg alloys. Our work not only suggests a theoretical approach to investigate grain/subgrain rotation based on the topological correlation between dislocations and disclinations, but also provides a new insight into the plastic behaviors of polycrystalline HCP metals.

Automated summary

Grain boundary mediated plasticity, such as grain rotation and grain boundary sliding, is crucial in determining the deformation behavior of polycrystals, especially in nanocrystalline metals or plastic deformation at high temperatures. However, the mechanism of deformation-induced grain rotation has not been well understood due to the lack of a theoretical framework. This study introduces a disclination-based description and shows that crystal rotation can be conveniently captured through the characteristic rotational vector of a disclination. The topological defect theory provides a framework for treating grain boundary mediated plasticity as topological reactions between dislocations and disclinations, enabling accurate predictions of grain/subgrain rotation using the reformulated Frank-Bilby equation.