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Under irradiation, Zr and Zr alloys undergo growth in the absence of appliedstress. This phenomenon is thought to be associated with the anisotropy ofdiffusion of either or both radiation-induced point defects and defectclusters. In this work, molecular dynamic simulations are used to study theanisotropy of diffusion of self-interstitial atom clusters. Bothnear-equilibrium clusters generated by aggregation of self-interstitial atomsand cascade-induced clusters were considered. The cascade-induced clustersdisplay more anisotropy than their counterparts produced by aggregation. Inaddition to 1-dimensional diffusing clusters, 2-dimensional diffusing clusterswere observed. Using our molecular dynamic simulations, the input parametersfor the "self-interstitial atom cluster bias" rate-theory model were estimated.The radiation-induced growth strains predicted using this model are largelyconsistent with experiments, but are highly sensitive to the choice ofinteratomic interaction potential.

Anisotropic diffusion of radiation-induced self-interstitial clusters in HCP zirconium: a molecular dynamics and rate-theory assessment