Niobium

The impact of azimuthally asymmetric carbon deposition upon pellet-clad mechanical interaction in advanced gas reactor fuel

Cracked nuclear fuel pellets were modelled in the r-θ plane with an azimuthally varying clad surface temperature boundary condition using the PELICAN set of fuel performance models for the commercial finite element software, Abaqus. The temperature …

The effect of Sn–VO defect clustering on Zr alloy corrosion

Density functional theory simulations were used to study Sn defect clusters in the oxide layer of Zr-alloys. Clustering was shown to play a key role in the accommodation of Sn in ${\\text{ZrO}\\_2}$, with the …

The effect of Nb on the corrosion and hydrogen pick-up of Zr alloys

Zr-Nb alloys are known to perform better in corrosion and hydrogen pick-up than other Zr alloys but the mechanism by which this happens is not well understood. Atomistic simulations using density functional theory of both tetragonal and monoclinic …

Accommodation of tin in tetragonal ZrO$_2$

Atomic scale computer simulations using density functional theory were used to investigate the behaviour of tin in the tetragonal phase oxide layer on Zr-based alloys. The Sn$_{Zr}^×$ defect was shown to be dominant across most oxygen partial …