Nanoclusters in bcc-Fe containing vacancies, copper and nickel: Structure and energetics

► Fe-Cu-Ni model alloys for RPV steels. ► Atomistic simulation, mainly MMC and MD simulations. ► Finding the most stable configurations of defect clusters. ► Energetics of clusters, formation and binding energies. ► Size dependence of monomer binding energy formula as input for OKMC methods.