An embedded atom model interatomic potential was developed which reproduced the room-temperature elastic behavior of the a-phase. Contrary to previously proposed potentials, the present one predicted a self-interstitial relaxation volume which was consistent with the relatively low measured value. The results for the static and dynamic properties of point defects were compared with the predictions of other potentials and with experimental findings. It was concluded that most well-fitted embedded atom model potentials yielded low vacancy-migration energies, and indicated that a basal crowdion was the stable interstitial configuration in fast 1-dimensional migration.

A Many-Body Potential for a-Zr: Application to Defect Properties. R.C.Pasianot, A.M.Monti: Journal of Nuclear Materials, 1999, 264[1-2], 198-205