Phase stability, electronic structures and elastic properties of (U,Np)O2 and (Th,Np)O2 mixed oxides
2018 ◽
Vol 20
(27)
◽
pp. 18707-18717
◽
Keyword(s):
Mixing enthalpies (ΔHmix) of U1−xNpxO2 and Th1−xNpxO2 solid solutions are derived from atomic scale simulations based on density functional theory (DFT) employing the generalised gradient approximation corrected with an effective Hubbard parameter (Ueff).
2019 ◽
Vol 21
(30)
◽
pp. 16818-16829
◽
2013 ◽
Vol 138
◽
pp. 223-228
◽
2016 ◽
Vol 18
(39)
◽
pp. 27226-27231
◽
2017 ◽
Vol 19
(5)
◽
pp. 3679-3687
◽
2016 ◽
Vol 43
◽
pp. 23-28
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Keyword(s):
2021 ◽