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h i g h l i g h t s We studied bulk uranium nitride with means of DFTþU with the U-ramping scheme and the OMC scheme. We produces a density of states plot and calculated the elastic constants of UN. We calculated the incorporation energy of many fission products in UN, and corrected them to take into account the elastic interactions. The OMC scheme should be used over the U-ramping scheme. Fission products go to larger crystal sites.

Peer reviewed versionCyswllt i'r cyhoeddiad / Link to publication Dyfyniad o'r fersiwn a gyhoeddwyd / Citation for published version (APA):

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