A computer simulation study was made of mass transport via point defects in α-Zr. The matrix of self-diffusion coefficients and activation energies for vacancy and self-interstitial atom defects was obtained, and various methods for treating diffusion were tested. Molecular dynamics showed that vacancy diffusion was approximately isotropic 1050 to 1650K; although some preference for basal-plane diffusion was observed at the lower end of the range.

Anisotropy of Point Defect Diffusion in Alpha-Zirconium. Y.N.Osetsky, D.J.Bacon, N.De Diego: Metallurgical and Materials Transactions A, 2002, 32[3A], 777-82