91 citations · 210 across the 12 of their papers we have counts for
6 papers · 1 filter
Thermal Energy Transport in Oxide Nuclear Fuel
David H. Hurley, Anter El-Azab, Matthew S. Bryan +13
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 t…
Advances in actinide thin films: synthesis, properties, and future directions
K. D. Vallejo, F. Kabir, N. Poudel +5
Actinide-based compounds exhibit unique physics due to the presence of 5f electrons, and serve in many cases as important technological materials. Targeted thin film synthesis of a…
Capturing the ground state of uranium dioxide from first principles: crystal distortion, magnetic structure, and phonons
Shuxiang Zhou, Hao Ma, Enda Xiao +5
Uranium dioxide (UO) remains a formidable challenge for first-principles approaches, due to the complex interplay among spin-orbit coupling, Mott physics, magnetic ordering, an…
Implications of phonon anisotropy on thermal conductivity of fluorite oxides
Saqeeb Adnan, Miaomiao Jin, Matthew S Bryan +3
Fluorite oxides are attractive ionic compounds for a range of applications with critical thermal management requirements. In view of recent reports alluding to anisotropic thermal…
The generalized quasiharmonic approximation via space group irreducible derivatives
Mark A. Mathis, Amey Khanolkar, Lyuwen Fu +9
The quasiharmonic approximation (QHA) is the simplest nontrivial approximation for interacting phonons under constant pressure, bringing the effects of anharmonicity into temperatu…
Validating First-Principles Phonon Lifetimes via Inelastic Neutron Scattering
Enda Xiao, Hao Ma, Matthew S. Bryan +10
Phonon lifetimes are a key component of quasiparticle theories of transport, yet first-principles lifetimes are rarely directly compared to inelastic neutron scattering (INS) resul…