Unique Challenges for Modeling Defect Dynamics in Concentrated Solid-Solution Alloys

Abstract

Recently developed concentrated solid solution alloys (CSAs) are shown to have improved irradiation performance that strongly depends on the number of alloying elements, alloying species and their concentrations. In contrast to conventional dilute alloys, CSAs are comprised of multiple principal elements randomly situated in a simple crystalline lattice. As a result, the intrinsic disorder has a profound influence on the energy dissipation pathways and defect evolution when these CSAs are subjected to ion irradiation. Extraordinary irradiation resistance, including suppression of void formation by two orders magnitude at an elevated temperature, has been achieved with increasing compositional complexity in CSAs. Yet, the intrinsic disorder poses great challenges to theoretical modelling at the electronic and atomic level. Based on recent computer simulation results from a novel set of Ni-based face-centered cubic CSAs, we demonstrate in this review that how the disorder can be tackled in theoretical modeling and what is the impact of disorder on the defect dynamics. Finally, the unique challenges of describing the energy dissipation and defect evolution in CSAs are discussed.