Structure, properties and formation of PuCrO3 and PuAlO3 of relevance to doped nuclear fuels
We have employed a variety of computational methods to understand the behaviour of Pu, generated by neutron capture reactions in UO2 fuel, with Cr2O3 and Al2O3, two common UO2 fuel dopants. Structure search calculations using density functional theory and empirical potentials show that PuCrO3 and Pu...
| Main Authors: | , , , , , , , |
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| Format: | Journal Article |
| Published: |
R S C Publications
2013
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| Online Access: | http://hdl.handle.net/20.500.11937/5102 |