Atomic scale modelling of the primary damage state of irradiated fcc and bcc nanocrystalline metals

Large scale molecular dynamics computer simulations of the irradiation of nanocrystalline fcc Ni and bcc Fe show differences in defect production, with different vacancy cluster structures forming during displacement cascades. Differences in defect production also exist in comparison to their single crystal counterparts. The primary damage state after irradiation is discussed in terms of defect production as a consequence of the grain boundaries present and of the crystalline structure in order to describe the effect of these microstructural parameters.