Diffusion in Very Dilute Zr-Fe Alloys
The diffusion process in hcp Zr with low amounts of Fe being in solution or forming very dilute Zr-Fe alloys is analysed and discussed. The enhancement of the diffusion coefficient in alloys with increasing amounts of Fe is studied using both experimental and theoretical results. In contraposition with the assumption made in the literature that the Fe in solution in the hcp Zr lattice is the responsible, this enhancement seems to be more related with the total amount of Fe present in the samples. This idea is supported by measurements of Au diffusion in Zr with 50 to 150 gr/gr of Fe which shows increments in the diffusion coefficients even at the lower temperatures where the reported Fe solubility in -Zr is negligible. Ab initio calculations using SIESTA and WIEN2k codes show several stable and meta-stable configurations for the Fe in the hcp Zr lattice in interstitial and off-centre positions, resembling the last ones a Zr3Fe like arrangement. These configurations are used in order to analyze the mechanism of both, self-diffusion enhancement and ultra-fast diffusion of Fe in -Zr.
Andreas Öchsner, Graeme E. Murch and Ali Shokuhfar
R. A. Pérez "Diffusion in Very Dilute Zr-Fe Alloys", Defect and Diffusion Forum, Vols. 283-286, pp. 128-132, 2009