5 papers
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…
Impact of dynamic Jahn-Teller effect on magnetic excitations, lattice vibration, and thermal conductivity in UxTh1-xO2 system
Saqeeb Adnan, Zilong Hua, Puspa Upreti +11
Vibrational and magnetic properties of single-crystal uranium-thorium dioxide (UxTh1-xO2) with a full range of 0<x<1 is investigated. Thorium dioxide is a diamagnet whose thermal p…