Modeling multiple defects in ionic phases like UO2± using the compound energy formalism

Abstract A modeling approach based on compound energy formalism is presented for the description of multiple simultaneous defects in oxides using UO 2 as an example. These defects are important in describing the solubility range of the phase and the variation in the oxygen potential with temperature and composition. It is shown how the model parameters can be related to physical properties like defect energies, which reduces the number of independent parameters.