Interaction of intrinsic point defects with dislocation stress fields in hcp zirconium crystal

The crystallographic, energetic, and kinetic characteristics of intrinsic point defects (vacancy-self-interstitial atom) in stable, metastable, and saddle configurations in hcp zirconium crystal have been calculated by the molecular-statics method. The spatial dependences of the interaction energies of intrinsic point defects and stress fields of rectilinear dislocations with Burgers vectors of 1/3[112 bar 0], 1/3 [112 bar 3], and [0001] have been found within the anisotropic linear theory of elasticity. The most likely trajectories of intrinsic point defects in dislocation stress fields (trajectories with minimum energy barriers for motion) have been constructed. Such trajectories result in dislocation only for the interaction of self-interstitial atoms with an edge dislocation that has a Burgers vector of 1/3 [112 bar 3].