Dipole Tensors and Volume Changes of Point Defects in H.C.P. Lattices

By computer simulation techniques dipole tensors and relaxation volumes of point defects in h.c.p. lattices are calculated for the fully relaxed lattice. Short‐range pair interatomic potentials to represent Mg and α‐Zr are used. Calculations for the vacancy at its equilibrium and activated states are reported. Quantitative differences due to the material elastic properties are found. For self interstitials, dipole tensor symmetries and volume‐change values are analyzed taking into account the defect‐lattice symmetries.