A first-principles survey of the partitioning behaviors of alloying elements on γ/γ′ interface

A first-principles approach is proposed to investigate the partitioning behaviors of the alloying elements Re, Co, and Cr, and the influence of Ru and Ir addition on them. The results show that Re, Co, and Cr all partition strongly to the gamma matrix. The Ru addition decreases the gamma phase partitioning trend of Re, Co, and Cr. The results are consistent with the early experimental work. Besides Ru, Ir results in Re less strongly partitioning to gamma. Our study shows that the influence of Ru (or Ir) on the partitioning characteristics of alloying elements originates from the strong interactions between Ru(Ir)-Re-Ni through the d-d orbitals hybridization. (c) 2008 American Institute of Physics.