Gaseous fission product generation, transport, and release can have a large impact on
nuclear fuel performance, degrading fuel and fuel–cladding gap properties. Over the past …

The actinide oxides have been extensively studied in the context of the nuclear fuel cycle.
They are also of fundamental interest as members of a class of strongly correlated materials …

We report a study of the ground state and metastable states of uranium dioxide using ab
initio DFT+ U calculations. We highlight that in order to avoid metastable states and …

Gaseous fission product transport and release has a large impact on fuel performance,
degrading fuel and gap properties. While gaseous fission product behavior has been …

An improved knowledge of nuclear fuel can be gained from a better description of atomic-
scale processes such as point defects behaviour under irradiation. In this perspective the …

The detrimental effects of the fission gas Xe on the performance of oxide nuclear fuels are
well known. However, less well known are the mechanisms that govern fission gas …

Based on density functional theory (DFT) and empirical potential calculations, the diffusivity
of fission gas atoms (Xe) in UO 2 nuclear fuel has been calculated for a range of non …

The ground-state electronic structures of the actinide oxides AO, A 2 O 3, and AO 2 (A= U,
Np, Pu, Am, Cm, Bk, and Cf) are determined from first-principles calculations, using the self …

Fuel performance codes are critical tools for the design, certification, and safety analysis of
nuclear reactors. However, their ability to predict fuel behavior under abnormal conditions is …

Over the last decade, a significant amount of work has been devoted to point defect
behaviour in UO 2 using approximations beyond density functional theory (DFT), in …