Radiation-induced segregation at grain boundaries of alloy 800H: Experimentally-informed atomistic simulations

Abstract

The irradiation of alloys can alter the spatial distribution of solute and impurity elements. The redistribution of alloying elements can cause local chemical changes at surfaces and interfaces, which may degrade the mechanical and chemical properties of alloys. In this paper, a combination of microscopic experiments and atomistic simulations are employed to study the effect of irradiation damage on radiation-induced segregation (RIS) at grain boundaries (GBs) of the alloy 800H. The grain boundary character distribution in alloy 800H was determined by electron backscatter diffraction, and proton-irradiation-induced defects were identified by transmission electron microscopy. The experimentally-observed GBs were recreated in atomistic simulations to further study their atomistic structure, grain boundary energies, and local element concentration. The effects of radiation-induced defects on the redistribution of alloying elements at various GBs were investigated. A mechanism is proposed to explain the local chemical changes at GBs after the interaction with radiation-induced dislocation loops, which is of importance to nuclear reactor performance.