91 citations · 185 across the 17 of their papers we have counts for
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Thermal Transport in Defective Uranium Nitride: Effects of Point Defects, Anharmonicity, and Electronic Contributions
Beihan Chen, Marat Khafizov, Zilong Hua +2
The impact of point defects on thermal transport in uranium nitride (UN) is investigated using a MLIP combined with Green-Kubo (GK) and normal mode analysis (NMA) methods over 300-…
Lattice anharmonicity effects in fluorite oxide single crystals and anomalous increase in phonon lifetime in ceria at elevated temperature
Amey Khanolkar, Saqeeb Adnan, Md Minaruzzaman +6
We investigate the temperature dependence of the frequency and linewidth of the triply-degenerate T zone-centered optical phonon in flux-grown ceria and hydrothermally-synth…
Anomalous Ionic Conductivity along the Coherent 3 Grain Boundary in ThO2
Miaomiao Jin, Jilang Miao, Marat Khafizov +3
Understanding oxygen diffusion along grain boundaries (GBs) is critical for controlling ionic conductivity in oxide ceramics. GBs are typically thought to enhance ionic transport d…
Machine learning interatomic potential for predicting the thermal properties of uranium nitride
Beihan Chen, Zilong Hua, Jennifer K. Watkins +4
We present a combined computational and experimental investigation of the thermal properties of uranium nitride (UN), focusing on the development of a machine learning interatomic…
Experimental Confirmation of First-Principles Thermal Conductivity in Zirconium-Doped ThO
Ella Kartika Pek, Zilong Hua, Amey Khanolkar +7
The degradation of thermal conductivity in advanced nuclear fuels due to the accumulation of fission products and irradiation-induced defects is inevitable, and must be considered…
Phonon modal analysis of thermal transport in ThO2 with point defects using equilibrium molecular dynamics
Beihan Chen, Linu Malakkal, Marat Khafizov +2
Defects can significantly degrade the thermal conductivity of ThO2, an advanced nuclear fuel material as well as a surrogate for other fluorite-structured materials. We investigate…
Extended defects-enhanced oxygen diffusion in ThO2
Miaomiao Jin, Jilang Miao, Beihan Chen +3
Oxygen self-diffusion is key to understanding stoichiometry and defect structures in oxide nuclear fuels. Experimentally, low activation-barrier oxygen migration was found in ThO$_…
Optical pulse induced ultrafast antiferrodistortive transition in SrTiO3
Saqeeb Adnan, Amey Khanolkar, Shuxiang Zhou +2
The ultrafast dynamics of the antiferrodistortive (AFD) phase transition in perovskite SrTiO3 is monitored via time-domain Brillouin scattering. Using femtosecond optical pulses, w…
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…
Parameterizing empirical interatomic potentials for predicting thermophysical properties via an irreducible derivative approach: the case of ThO and UO
Shuxiang Zhou, Chao Jiang, Enda Xiao +6
The accuracy of classical physical property predictions using molecular dynamics simulations is determined by the quality of the interatomic potentials. Here we introduce a trainin…
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…
Electrically controlled heat transport in multilayer graphene
Pietro Steiner, Saqeeb Adnan, Muhammed Said Ergoktas +13
The ability to control heat transport with electrical signals has been an outstanding challenge due to the lack of efficient electrothermal materials. Previous attempts have mainly…