Long-term behaviour of irradiated hcp Zr using Monte Carlo simulations

Kinetic Monte Carlo (kMC) modelling has been used to study the diffusion of defects produced under irradiation in alpha-zirconiun. Database of displacement cascades created by recoils from 10 to 25 keV obtained by molecular dynamics (MD) simulations have been used as initial damage state in the metal. These cascades have been annealed for times of hours at a fixed temperature of 600 K. The number of freely migrating defects, the recombination ratio between vacancies and interstitials, the surviving defects in the bulk as well as the average cluster size for these remaining defects have been obtained.