Diffusion in hypo-stoichiometric uranium mononitride

Li, Jade J.; Murphy, Samuel T.

doi:10.1016/j.pnucene.2021.103995

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“…64 Compared with UO 2 , the non-stoichiometric range of UN is smaller. [65][66][67][68][69] According to the phase diagram of UN, the formation enthalpies of UN and U 2 N 3 in the N-rich region and the formation enthalpies of UN and a-U in the U-rich region 67 combined with the PW91 functional can be used to determine the chemical potential range. 70 Following a similar approach, a comparison of defect energies in UN is presented using different methodologies on account of the GGA density functional.…”

Section: Introductionmentioning

confidence: 99%