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 …

Molecular dynamics simulations have been carried out to investigate the primary radiation
damage in (U 1-y, Pu y) O 2 solid solution for various temperatures and plutonium contents …

The introduction of chemical disorder by substitutional chemistry into ionic conductors is the
most commonly used strategy to stabilize high-symmetric phases while maintaining ionic …

Additives are widely used to control the microstructure of materials via their effect on defect
chemistry during sintering. As the primary nuclear fuel, the properties of UO 2 are crucial for …

Control of the defect chemistry in UO 2±x is important for manipulating nuclear fuel
properties and fuel performance. For example, the uranium vacancy concentration is critical …

Access to values for oxygen self-diffusion over a range of temperatures and pressures in UO
2 is important to nuclear fuel applications. Here, elastic and expansivity data are used in the …

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 …

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

We present a study of the diffusion of krypton in UO2 using atomic scale calculations
combined with diffusion models adapted to the system studied. The migration barriers of the …

We present the development of machine-learning interatomic potentials for uranium dioxide
UO 2. Density functional theory calculations with a Hubbard U correction were leveraged to …