The habit plane of 〈a〉-type dislocation loops in α-zirconium: an atomistic study

Abstract

We use both a model of dislocation energy and molecular dynamics (MD) simulations to explore the habit planes of 〈a〉-type dislocation loops, while cascade simulations are produced to investigate the effect of irradiation on those loops. Vacancy and interstitial loops are artificially created on perfect prism planes in MD, and they reorient to their preferred habit planes during a relaxation stage. The statistics presented in stereographic projections show that the preferred habit planes are close to the prism plane , consistent with experimental data from the literature. We also confirm that the angle between the Burgers vector and the loop’s plane is a useful parameter when identifying the stability of 〈a〉-type dislocation loops.