Atomic-scale computer simulation of high-energy displacement cascades in α-Zr was carried out for a wide range of primary knock-on atom energy (10–25keV) at 100 to 600K. A large number of vacancy and self-interstitial atom clusters of various shapes and sizes was generated in more than 240 cascades. In spite of the variety of cluster structures, they could be grouped into 3 distinct configurations for vacancy and self-interstitial atom clusters. The internal atom arrangements for all point defect clusters were established, and the type of stacking fault that could be attributed to vacancy clusters was identified. An explanation was suggested for the various relaxation patterns of prismatic vacancy loops occupying even or odd number of neighbouring close-packed planes. Transformation of the pyramid-like vacancy cluster with a basal-plane extrinsic fault into prismatic vacancy loop was considered.

Identification and Morphology of Point Defect Clusters Created in Displacement Cascades in α-Zirconium. R.E.Voskoboinikov, Y.N.Osetsky, D.J.Bacon: Nuclear Instruments and Methods in Physics Research B, 2006, 242[1-2], 530-3