91 citations · 210 across the 12 of their papers we have counts for
10 papers · 1 filter
First-principles determination of the phonon-point defect scattering and thermal transport due to fission products in ThO2
Linu Malakkal, Ankita Katre, Shuxiang Zhou +4
This work presents the first principles calculations of the lattice thermal conductivity degradation due to point defects in thorium dioxide using an alternative solution of the Pi…
Unfaulting mechanisms of Frank loops in fluorite oxides
Miaomiao Jin, Jilang Miao, Yongfeng Zhang +4
Unfaulting of Frank loops in irradiated fluoride oxides are of significance to microstructural evolution. However, the mechanisms have not been directly observed. To this end, we u…
Thermal conductivity suppression in uranium-doped thorium dioxide due to phonon resonant scattering
Zilong Hua, Saqeeb Adnan, Amey R. Khanolkar +7
In this work, the thermal transport properties of thorium dioxide (ThO, thoria) with low levels of substitutional uranium (U) doping are explored. We observe strong indications…
Temperature-dependent elastic constants of thorium dioxide probed using time-domain Brillouin scattering
Amey Khanolkar, Yuzhou Wang, Cody A. Dennett +4
We report the adiabatic elastic constants of single-crystal thorium dioxide over a temperature range of 77 - 350 K. Time-domain Brillouin scattering (TDBS), an all-optical, non-con…
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…
Time-domain Brillouin scattering theory for probe light and acoustic beams propagating at an angle and acousto-optic interaction at material interfaces
Vitalyi E. Gusev, Théo Thréard, David H. Hurley +1
A theory has been developed to interpret time-domain Brillouin scattering (TDBS) experiments involving coherent acoustic pulse (CAP) and light pulse beams propagating at an angle t…