Re effects in model Ni-based superalloys investigated with first-principles calculations and atom probe tomography

Wang Dianwu¹, Wang Chongyu^{1, 2, †}, Yu Tao¹, Liu Wenqing³

(a) Local density of states for atoms in model S3 (cf., Fig. 2) and model S3′ (cf., Fig. 2), respectively. Re1 atoms marked in the upper subplot corresponds to the Re atoms in Fig. 5. (b) Partial density of states for atoms in model S3 (cf., Fig. 2). Re1 and Ni276 atoms marked in the lower subplot correspond to Re and Ni atoms in Fig. 5. The Fermi energies are shifted to zero.