First Principle Plane-Wave Pseudopotential Calculation of Point Defects in PuO_(2-X)

摘要

The oxygen potential of oxide nuclear fuel is anrnimportant parameter to control irradiation behavior.rnInformation of oxygen potential is also necessary torndetermine the conditions of the fabrication process i.e.rntemperature and atmosphere. The thermochemical modelrnof oxygen potential of nonstoichiometric plutonium oxidern(PuO-x) has been developed based on defect chemistryrn. Understanding the point defect in PuO-x is importantrnto develop the oxygen potential model.