DETERMINATION OF IMPURITY-POINT DEFECT BINDING-ENERGIES IN ALLOYS

Modelling of radiation induced or thermal non-equilibrium segregation needs data on impurity-point defect binding energies. These data are g enerally unavailable although some attempts have been made to calculat e them. In the present paper on approach to calculating impurity-inter stitial (mixed dumbbell) binding energies is established on the basis of strain field arguments. Earlier work is slightly modified for more accurate calculation of oversized impurity-vacancy binding energies. T he method is applied to predictions of various impurity-point defect b inding energies in several transition metal matrixes. With the aid of these predictions, other experimental and theoretical results on impur ity-point defect binding energies and radiation induced segregation ar e reasonably explained. (C) 1996 The Institute of Materials.