Point defect properties in alloys with finite concentration of elements are no longer unique, due to varying chemical and structural environments, but correspond to distributions . This is particularly true for materials like the recently emerged High Entropy Alloys, which are multicomponent alloys with nearly equicomposition. The importance of a detailed characterization of the distributions on kinetics and mechanical properties of materials is not yet well understood.
Here, we perform an extensive study of vacancy, solute and self-interstitial properties (formation and migration energies, elastic dipoles), versus alloy characteristics (number of components, chemical order, size mismatch), using atomic simulations on model alloys. We analyze the specific role of the distribution morphology on diffusion and alloy strength  through analytical models, and discuss the minimum set of ab initio calculations to be performed.
 M.Stocks et al., PRB (2012); C.Varvenne et al., PRB (2016)
 C.Varvenne et al., Acta Mater., (2016)