Computational study of atomic mobility for the bcc phase of the U-Pu-Zr ternary system

Abstract Experimental diffusion data in literature has been evaluated to assess the atomic mobility for the bcc phase in the U–Pu–Zr system by means of the DICTRA-type (Diffusion Controlled TRAnsformation) phenomenological treatment. The developed mobility database has been validated by comprehensive comparisons made between the experimental and calculated diffusion coefficients, as well as other interesting details resulting from interdiffusion, e.g. the concentration profile and the diffusion path of diffusion couples.