Ag. Mikhin et al., ON THE ANISOTROPIC MIGRATION OF POINT-DEFECTS IN HCP ZIRCONIUM, Philosophical magazine. A. Physics of condensed matter. Defects and mechanical properties, 70(1), 1994, pp. 25-33
Point-defect calculations in h.c.p. zirconium have been carried out wi
th a pair potential constructed in terms of the generalized pseudopote
ntial theory. Two models of the h.c.p. lattice with either the ideal o
r the experimental c/a ratio were considered. It has been found with b
oth models that the monovacancy has the same migration energy in and o
ut of the basal plane, whereas the divacancy migration is anisotropic
and favours out-of-plane mobility. A significant anisotropy for inters
titial migration is observed, with greater in-plane mobility at the ex
perimental c/a ratio. The di-interstitial migrates in the basal plane
by the crowdion mechanism. The results of the calculations permit inte
rpretation of some annealing stages of irradiated zirconium and allow
conclusions to be drawn on the possibility of the diffusional anisotro
py difference in h.c.p. zirconium.