First-principles study of solute diffusion in Ni<sub>3</sub>Al

First-principles study of solute diffusion in Ni₃Al

Liu Shaohua¹, Li Zi², Wang Chongyu^{3, †}

(color online) Diffusion pathways and minimum energy pathways for various jump mechanisms for solutes. (a) A scheme of the intra-sublattice, inter-sublattice, AS, and ASB mechanism in L1₂ Ni₃Al. (b) Minimum energy pathways for jump. (c) Minimum energy pathways for AS jump. (d) Minimum energy pathways for ASB jump.