Metals Far from Equilibrium: From Shocks to Radiation Damage

Shock waves and high-energy particle radiation can each drive materials far from thermodynamic equilibrium and enable novel scenarios in the processing of materials. A large number of theoretical and experimental studies of shock deformation have been performed on polycrystalline materials, but shock deformation in single crystals has only re-cently been studied in some detail. We present molecular dynamics (MD) simulations of the shock response of single crystal copper, modeled using an embedded atom potential that reproduces both defect formation and high pressure behavior. Shock-induced plasticity will also be discussed. Predicting the in-service response of ferritic alloys in future fusion energy environments requires a detailed understanding of the mechanisms of defect accumulation and micro-structure evolution in harsh radiation environments, which include a high level of He generation concurrent with primary damage production. The second half of this paper describes results of atomistic MD and kinetic Monte Carlo simulations to investigate the role of He on point defect cluster behaviour and damage accumulation in bcc Fe. The goal of these simulations is to study the mechanisms responsible for the formation of vacancy-He clusters which serve as He bubble and void nuclei in fusion reactor materials