The role of cation ordering and disordering on mass transport in complex oxides

CR Kreller, BP Uberuaga - Current Opinion in Solid State and Materials …, 2021 - Elsevier
Mass transport is one of the most fundamental properties of a material and dictates its
potential use for a range of applications. In simple materials, mass transport is determined …

Multiscale modeling of fission gas behavior in U3Si2 under LWR conditions

T Barani, G Pastore, D Pizzocri, DA Andersson… - Journal of Nuclear …, 2019 - Elsevier
In this work, we present a model of fission gas behavior in U 3 Si 2 under light water reactor
(LWR) conditions for application in engineering fuel performance codes. The model includes …

Phase-field simulations of intergranular fission gas bubble behavior in U3Si2 nuclear fuel

LK Aagesen, D Andersson, BW Beeler… - Journal of Nuclear …, 2020 - Elsevier
U 3 Si 2 is a potential accident-tolerant fuel that shows promise due to its high thermal
conductivity and higher uranium density relative to UO 2. However, its swelling and fission …

Incorporation of Kr and Xe in uranium mononitride: a density functional theory study

L Yang, N Kaltsoyannis - The Journal of Physical Chemistry C, 2021 - ACS Publications
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 …

Understanding xenon and vacancy behavior in UO 2, UN and U 3 Si 2: a comparative DFT+ U study

J Zhao, D Sun, L **, P Chen, J Zhao… - Physical Chemistry …, 2023 - pubs.rsc.org
Extensive attention has been paid to accident tolerant fuels (ATFs), such as uranium
mononitride (UN) and uranium sesquisilicide (U3Si2), which are regarded as potential …

Irradiation-enhanced diffusion and diffusion-limited creep in U3Si2

MWD Cooper, KA Gamble, L Capolungo… - Journal of Nuclear …, 2021 - Elsevier
U 3 Si 2 is an advanced fuel candidate due to its relatively high fissile density and attractive
thermal properties. Compared to standard UO 2 fuel, there are significant data gaps for the …

U3Si2-SiC fuel performance analysis in BISON during normal operation

W Li, K Shirvan - Annals of Nuclear Energy, 2019 - Elsevier
U 3 Si 2-SiC is an accident-tolerant fuel concept currently under development by
Westinghouse that has potential to improve economic performance and safety of light water …

Simulations of self-and Xe diffusivity in uranium mononitride including chemistry and irradiation effects

MWD Cooper, J Rizk, C Matthews, V Kocevski… - Journal of Nuclear …, 2023 - Elsevier
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 …

Enthalpies of formation and phase stability relations of USi, U3Si5 and U3Si2

CK Chung, X Guo, G Wang, TL Wilson, JT White… - Journal of Nuclear …, 2019 - Elsevier
U–Si intermetallic compounds have drawn great attention due to their potential application
as nuclear fuels. However, the thermodynamic properties and phase equilibria of this binary …

First-principles study of point defects in U 3 Si 2: effects on the mechanical and electronic properties

M Li, J Hu, H Gong, Q Ren, Y Liao, H **ao… - Physical Chemistry …, 2022 - pubs.rsc.org
In recent years, U3Si2 has been proposed as an alternative nuclear fuel material to uranium
dioxide (UO2) because of its intrinsically high uranium density and thermal conductivity …