Uranium mononitride (UN) is a promising nuclear fuel that combines the advantageous
properties of readily used UO 2 and uranium alloys. Various properties of UN have been …

Uranium nitride is a material of considerable fundamental interest and is a promising
candidate for an advanced nuclear fuel. We here study intrinsic point defects and …

Uranium mononitride (UN) is an advanced nuclear fuel currently being considered for use in
several generation IV fast and thermal neutron spectrum core designs, with additional …

Extensive attention has been paid to accident tolerant fuels (ATFs), such as uranium
mononitride (UN) and uranium sesquisilicide (U3Si2), which are regarded as potential …

The incorporation of volatile fission products (Kr, Xe, Br, I, Te, Rb and Cs) in a range of
interstitial and defect sites in UN and PuN is examined via predictions made using atomic …

A combination of density functional theory and empirical potential atomic scale simulations
have been used to determine a model for defect stability and mobility in uranium …

Uranium mononitride (UN) has been proposed as an accident tolerant fuel for nuclear
fission reactors and offers enhanced performance during accident scenarios relative to the …

The bulk properties of uranium dioxide (UO 2) have been investigated using Hubbard
corrected density functional theory (DFT+ U) calculations. Monitoring of the occupation …

In the present study, physical properties of the ternary phase U 2 CrN 3 are evaluated
experimentally and by modeling methods. High density pellets containing the ternary phase …

High-throughput computational studies of lanthanide and actinide chemistry with density-
functional theory are complicated by the need for Hubbard U corrections, which ensure …