Self-Point Defects Characteristics and their Dependence on Stress Fields of Edge and Screw Basal Dislocations with Burgers Vector 1∕3<112̄0> in HCP Zr

Abstract

In hcp Zr crystal, the characteristics (formation and migration energies, relaxation volume and dipole tensor) of stable and metastable (including saddle point) configurations of self‐point defects (self‐interstitial atoms, vacancies) have been calculated by computer simulation with use of the many‐body interaction potential. The stress fields of the straight edge and screw basal dislocations with Burgers vector 1/3<112̄0> and spatial dependence of the interaction energy between these dislocations and self‐point defects (elastic dipoles) have been calculated using the anisotropic theory of elasticity. Stress fields of dislocations significantly affect the point defects characteristics and behaviour in hcp Zr.