Effect of void defect on c -axis deformation of single-crystal Ti under uniaxial stress conditions: Evolution of tension twinning and dislocations

Abstract

Deformation twins have a major role in the microstructure evolution of hexagonal close packed (HCP) metals. Voids are common defects in metals and have a significant impact on their properties. In this work, using molecular dynamics, a tension simulation of single-crystal titanium (Ti) with different void sizes under uniaxial stress conditions was performed. The results showed that the evolution and dominance of the $\\left\\{ {10\\bar{1}2} \\right\\}$\n twin system using the Henning potential was not consistent with the Schmid criterion when the single-crystal Ti contained void defects. From a microscopic perspective, the authors analyzed the relationship between the nucleation and growth of twins and the emission of dislocation loops. The authors found that the existence of voids not only contributes to the emission of dislocation loops but also hinders the movement of these loops. With the increase in void size, the peak dislocation density of ${1 \\over 3}\\left\\langle {\\bar{1}100} \\right\\rangle$\n partial dislocation loops decreased. This work is helpful to further investigate the nucleation and evolution of tension twins and to form an effective growth criterion for twins to study the twinning process of HCP metals during plastic deformation.