Nuclear graphite in high-temperature gas-cooled reactors (HTGRs) acts as a moderator, a
structural material, as well as an accommodation for fission products (FPs). Given the …

Main observation and conclusion The catalytic properties of the CeO2 catalyst for propane
dehydrogenation (PDH) are examined by employing the density functional theory …

The ripplocation is a crystallographic defect which is unique to layered materials, combining
nanoscale delamination with the crystallographic slip of a basal dislocation. Here, we have …

The diffusion, penetration and intercalation of metallic atomic dopants is an important
question for various graphite applications in engineering and nanotechnology. We have …

Basal dislocations are the most common type of dislocation in bilayer graphene and
graphite, and are critical to understanding the physics of graphite because they play a …

Uranium mononitride is a strong candidate for an advanced nuclear fuel. In this work we use
density functional theory to model the diffusivity of matrix U atoms, as well as the noble gas …

To develop nuclear energy sustainably, it is important to effectively capture radioiodine in
nuclear waste. In this study, we used density functional theory (DFT) and ab initio molecular …

The data in this article are related to the research article “Stacking-Mediated Diffusion of
Ruthenium Nanoclusters in Bilayer Graphene and Graphite”(JG McHugh, 2022). The data …

The diffusion, penetration and intercalation of metallic atomic dopants is an important
question for various graphite applications in engineering and nanotechnology. We have …

The next generation of nuclear reactors (Generation IV) are specified to use graphite as the
choice material for neutron moderation and structural components. For this reason, study of …