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 …
An integrated experimental and computational investigation of defect and microstructural effects on thermal transport in thorium dioxide
Advanced nuclear reactor concepts aim to use fuels that must withstand unprecedented
temperature and radiation extremes. In these fuels, thermal energy transport under …
temperature and radiation extremes. In these fuels, thermal energy transport under …
Dislocation loop evolution in Kr‐irradiated ThO2
The early stage of microstructural evolution of ThO2, under krypton irradiation at 600, 800,
and 1000° C, was investigated using in situ transmission electron microscopy (TEM) …
and 1000° C, was investigated using in situ transmission electron microscopy (TEM) …
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 …
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 …
Generalized quasiharmonic approximation via space group irreducible derivatives
The quasiharmonic approximation (QHA) is the simplest nontrivial approximation for
interacting phonons under constant pressure, bringing the effects of anharmonicity into …
interacting phonons under constant pressure, bringing the effects of anharmonicity into …
TEM characterization of dislocation loops in proton irradiated single crystal ThO2
This work focuses on the full characterization of dislocation loops induced by proton
irradiation in single-crystal ThO 2. Irradiation was performed using 2 MeV H+ ions with …
irradiation in single-crystal ThO 2. Irradiation was performed using 2 MeV H+ ions with …
Structural dynamics of Schottky and Frenkel defects in ThO 2: a density-functional theory study
Thorium dioxide (ThO2) is a promising alternative to mixed-oxide nuclear fuels due to its
longer fuel cycle and resistance to proliferation. Understanding the thermal properties, in …
longer fuel cycle and resistance to proliferation. Understanding the thermal properties, in …
First principles investigations for structural, electronic, optical and elastic properties of Ag2BeSn (S/Se) 4 chalcogenide in kesterite and stannite phases with theoretical …
In the present work, density functional theory based computational analysis is carried out for
structural, electronic, optical, and mechanical properties of novel chalcogenide Ag 2 BeSn …
structural, electronic, optical, and mechanical properties of novel chalcogenide Ag 2 BeSn …
Inferring relative dose-dependent color center populations in proton irradiated thoria single crystals using optical spectroscopy
We have utilized photoluminescence spectroscopy and optical ellipsometry to characterize
the dose-dependence of the photoluminescence emission intensity and changes in optical …
the dose-dependence of the photoluminescence emission intensity and changes in optical …