Discrete dislocation dynamics simulations of [formula omitted]-type prismatic loops in zirconium

Abstract

Neutron irradiation of zirconium alloys in light water nuclear reactors generates nano-scale defects in the form of vacancy and interstitial 〈a〉-type prismatic loops which lie in prismatic planes of the sample. The dynamics of idealised conservative square 〈a〉-type prismatic loops have been investigated for a range of loop lengths in the framework of linear isotropic elasticity. Three-dimensional dislocation dynamics (DD) simulations of a dislocation-loop interaction have been performed to investigate the dislocation-loop interaction mechanism. For this purpose, a mobility law developed for hexagonally close-packed materials has been implemented and described in detail. Analytical and numerical calculations have been performed to obtain expressions for the restoring force and angular stability of prismatic loops. These analyses have been used to inform a 2.5D discrete dislocation plasticity (DDP) model in order to emulate realistic prismatic loop physics and improve irradiation hardening simulations. From the 2.5D DDP prismatic loop analyses, it has been observed that the stable angle of smaller sized loops is less sensitive to external stresses compared to that of larger loops, which may have implications for the mechanisms of irradiation hardening. Furthermore, initial 2.5D single-slip simulations predict that prismatic loops cause significantly elevated flow stress that increases with increasing loop density in accord with experimental observations, and that the restraining effect of the out-of-plane loop segments (the restoring force) plays an important role in the strengthening caused by loops.