Thermal energy transport in oxide nuclear fuel
To efficiently capture the energy of the nuclear bond, advanced nuclear reactor concepts
seek solid fuels that must withstand unprecedented temperature and radiation extremes. In …
seek solid fuels that must withstand unprecedented temperature and radiation extremes. In …
Multipolar interactions in -electron systems: The paradigm of actinide dioxides
This article reviews the physics of multipolar interactions and multipolar order in f-electron
systems, using the actinide dioxides as a paradigm. In the past few years, these apparently …
systems, using the actinide dioxides as a paradigm. In the past few years, these apparently …
calculations of the ground state and metastable states of uranium dioxide
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 …
initio DFT+ U calculations. We highlight that in order to avoid metastable states and …
Stability of oxygen point defects in by first-principles calculations: Occupation matrix control and Jahn-Teller distortion
Point-defect formation energies in uranium dioxide UO 2 are still a matter of debate due to
the significant discrepancies between the various studies published in the literature. These …
the significant discrepancies between the various studies published in the literature. These …
Hybrid Density-Functional Theory and the Insulating Gap of
KN Kudin, GE Scuseria, RL Martin - Physical Review Letters, 2002 - APS
We report the first calculations carried out with a periodic boundary condition code capable
of examining hybrid density-functional theory (DFT) for f-element solids. We apply it to the …
of examining hybrid density-functional theory (DFT) for f-element solids. We apply it to the …
U and Xe transport in UO: Density functional theory calculations
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 …
well known. However, less well known are the mechanisms that govern fission gas …
Anisotropic thermal conductivity in uranium dioxide
The thermal conductivity of uranium dioxide has been studied for over half a century, as
uranium dioxide is the fuel used in a majority of operating nuclear reactors and thermal …
uranium dioxide is the fuel used in a majority of operating nuclear reactors and thermal …
Triple- Octupolar Ordering in
We report the results of resonant x-ray scattering experiments performed at the Np M 4, 5
edges in N p O 2. Below T 0= 25 K, the development of long-range order of Np electric …
edges in N p O 2. Below T 0= 25 K, the development of long-range order of Np electric …
Magnetic structure and electric-field gradients of uranium dioxide: An ab initio study
The magnetic structure of uranium dioxide has been investigated using linear augmented
plane wave ab initio calculations, taking into account spin-orbit coupling, strong Coulomb …
plane wave ab initio calculations, taking into account spin-orbit coupling, strong Coulomb …
First-principles calculation and experimental study of oxygen diffusion in uranium dioxide
B Dorado, P Garcia, G Carlot, C Davoisne… - Physical Review B …, 2011 - APS
This work provides an illustration that density functional theory (DFT)+ U calculations may
quantitatively describe transport phenomena in uranium dioxide. Oxygen diffusion …
quantitatively describe transport phenomena in uranium dioxide. Oxygen diffusion …