Conference Dates

March 6-11, 2016


We examine the roles that charged defects play in electric-field-assisted sintering using first principles density functional theory. We consider individual point defects and defect complexes, such as Frenkel pairs and Schottky defects. For each defect, the formation energy is calculated as a function of the temperature and applied electric field to estimate its density under experimental conditions. The effects of the defects on the observed densification are then modeled. Optical transitions of the defects are computed to allow for spectroscopic identification. The modification of the lattice constants due to the defects is presented for comparison with diffraction measurements

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