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 …
Crystal structure and magnetism of actinide oxides: A review
The consequences of 5f electrons in the actinide elements are as interesting as they are
complex, with actinide systems displaying dual nature of 5f states (itinerant-localized) …
complex, with actinide systems displaying dual nature of 5f states (itinerant-localized) …
Temperature-dependent phonon lifetimes and thermal conductivity of silicon by inelastic neutron scattering and ab initio calculations
Inelastic neutron scattering on a single crystal of silicon was performed at temperatures from
100 to 1500 K. These experimental data were reduced to obtain phonon spectral intensity at …
100 to 1500 K. These experimental data were reduced to obtain phonon spectral intensity at …
Phonon Thermal Transport in via Self-Consistent Perturbation Theory
Computing thermal transport from first-principles in UO 2 is complicated due to the
challenges associated with Mott physics. Here, we use irreducible derivative approaches to …
challenges associated with Mott physics. Here, we use irreducible derivative approaches to …
Indications of flat bands driving the δ to α volume collapse of plutonium
On cooling from the melt, plutonium (Pu) undergoes a series of structural transformations
accompanied by a≈ 28% reduction in volume from its δ phase to its α phase at low …
accompanied by a≈ 28% reduction in volume from its δ phase to its α phase at low …
Capturing the ground state of uranium dioxide from first principles: Crystal distortion, magnetic structure, and phonons
Uranium dioxide (UO 2) remains a formidable challenge for first-principles approaches due
to the complex interplay among spin-orbit coupling, Mott physics, magnetic ordering, and …
to the complex interplay among spin-orbit coupling, Mott physics, magnetic ordering, and …
Superexchange Ferromagnetic Coupling and Thermodynamic Features of the La2FeCoO6 Semiconductor
CED Toro, KAM Pulido, JA Rodríguez… - Journal of Low …, 2022 - Springer
Ab initio calculations of the electronic and thermodynamic properties for the oxide
ferrocobaltite of the perovskite-type La2FeCoO6 are reported. The calculations of the band …
ferrocobaltite of the perovskite-type La2FeCoO6 are reported. The calculations of the band …
Annealing of the Raman defect peaks in He-implanted UO2
The exploitation of the data acquired by Raman spectroscopy on UO 2 related materials
requires the understanding of the so-called defect peaks. To do so, we measured the …
requires the understanding of the so-called defect peaks. To do so, we measured the …
Anisotropy in cubic caused by electron-lattice interactions
Despite many years of research, the full complexity of the electron-lattice interactions in UO
2 is not fully understood. We present x-ray inelastic scattering at low temperature showing …
2 is not fully understood. We present x-ray inelastic scattering at low temperature showing …
A comparative analysis of the phonon properties in UO2 using the Boltzmann transport equation coupled with DFT+ U and empirical potentials
The vibrational and thermal properties of UO 2 are determined by the solution of the
Boltzmann transport equation (BTE) for phonons. The BTE approach relies on interatomic …
Boltzmann transport equation (BTE) for phonons. The BTE approach relies on interatomic …