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Computer Simulation of the Migration Of Self-Interstitial Atoms in Alpha-Zirconium

  • B. J. Whiting (a1) and D. J. Bacon (a1)


The migration of single interstitials and small interstitial clusters in ox-zirconium at different temperatures has been analysed using a molecular dynamics model with a many-body interatomic potential. The migration exhibits a strong anisotropy. The defects are very mobile (with Em = 0. 01 eV) along <1120> directions in the basal plane, and this motion is dominant for the single interstitial at low temperature and the di- and tri-interstitials at all temperatures. Above about 500 K, the single interstitial exhibits 2-D and 3-D motion, but Em for non-basal motion is about 0.133 eV. These results point to important consequences for the behaviour of defects formed by displacement cascades in irradiated zirconium.



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