Derivation of enhanced potentials for plutonium dioxide and the calculation of lattice and intrinsic defect properties

A new potential has been derived for plutonium dioxide and used to calculate its lattice and defect properties. The Pu4+⋯O2− potential is obtained via a combination of empirical fitting to crystal structural data and parametric fitting to additional physical properties, while the O2−⋯O2− potential i...

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Veröffentlicht in:	Journal of nuclear materials 2014-05, Vol.448 (1-3), p.20-25
Hauptverfasser:	Read, Mark S.D., Walker, Scott R., Jackson, Robert A.
Format:	Artikel
Sprache:	eng
Schlagworte:	Applied sciences Crystal defects Derivation Energy Exact sciences and technology Fittings Fuels Lattices Mathematical analysis Nuclear engineering Nuclear fuels Physical properties Plutonium dioxide Preparation and processing of nuclear fuels
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