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Atomistic computer simulations were performed for the actinide oxides (UO2, PuO2 and MOX) in the temperature range 300 K‐2000 K, in order to elucidate the physical and defect properties of these nuclear fuel materials. Parameterised cation‐anion Buckingham potentials, coupled to a standard Coulomb function, were used to describe the short range and long range interatomic interactions respectively...
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