First-principles study of the partitioning and site preference of Re or Ru in Co-based superalloys with γ/γ′γ/γ′ interface

The partitioning behaviors and alloying effect of Re and Ru in Co-based superalloys are investigated by first-principles calculations with γ(Co)/γ′(Co3(Al,W))γ(Co)/γ′(Co3(Al,W)) interface model. Both elements are observed to partition more into the γ-Co phase and the Ru addition decreases the γ   phase partitioning trend of Re. Re prefers the substitution at W sublattice site while Ru prefers face-center Co sublattice site of the γ′γ′-Co3(Al, W) (L12) phase.