Influence of Yttria Nanoclusters on the Void Nucleation in BCC Iron During Multi-Axial Tensile Deformation: A Molecular Dynamics Simulation

Oxide dispersion-strengthened (ODS) steels are among the most promising candidate structural materials for fusion and Generation-IV (Gen-IV) fission reactors, but the ductility of ODS steels is inferior to its strength properties. Therefore, we investigate void nucleation, considered as the first step of ductile damage in metal, using molecular dynamics simulations. Given that the materials are subjected to extremely complex stress states within the reactor, we present the void nucleation process of 1–4 nm Y2O3 nanoclusters in bcc iron during uniaxial, biaxial, and triaxial tensile deformation. We find that the void nucleation process is divided into two stages depending on whether the dislocations are emitted. Void nucleation occurs at smaller strain in biaxial and triaxial tensile deformation in comparation to uniaxial tensile deformation. Increasing the size of clusters results in a smaller strain for void nucleation. The influence of 1 nm clusters on the process of void nucleation is slight, and the void nucleation process of 1 nm cluster cases is similar to that of pure iron. In addition, void nucleation is affected by both stress and strain concentration around the clusters, and the voids grow first in the areas of high stress triaxiality.