GD3: generalized discrete defect dynamics

Abstract

A mesoscale model is introduced to study the dynamics of material defects lying at interface junctions. The proposed framework couples the dynamics of discrete dislocation and disclination lines. Disclinations are expected to be natural defects at interface junctions; their presence serving the purpose of accommodating discontinuities in rotation fields at material interface junctions. Crystallography-based rules are proposed to describe the kinematics of disclination motion. A discrete-continuous couple-stress framework, in which discrete defect lines are introduced as plastic eigenstrains and eigencurvatures, is proposed to explicitly follow the dynamics of interfacial defects. The framework is then applied to study \(\left (10\bar {1}2\right)\) twin transverse propagation and thickening in magnesium. Focusing first on the case of a twin domain, It is shown that a disclination based representation of twin domains allows for an appropriate mechanistic description of the kinematics of shear transformations. In what concerns twin thickening, the stability of defects at twin interfaces is further studied. To this end, a 3D crater lying on a twin interface is described as a dipole of disclination loops. Upon self-relaxation, it is found that out of plane motion of disclinations followed by the nucleation of twinning dislocations can be activated; thereby showing that conservative non-planar motion of disclinations can be thermodynamically favorable; mechanism that had been postulated some 50 years ago.