Showing 1–12 of 12 results
/ Date/ Name
Aug 3, 2018Combined ab initio and empirical model of the thermal conductivity of uranium, uranium-zirconium, and uranium-molybdenumApr 28, 2022Capturing the ground state of uranium dioxide from first principles: crystal distortion, magnetic structure, and phononsNov 1, 2025The stability and topological behaviors in lanthanide antiperovskite nitrides: a high-throughput studyOct 13, 2023Phonon thermal transport in UO$_2$ via self-consistent perturbation theoryMar 14, 2024Impacts of Point Defects on Shallow Doping in Cubic Boron Arsenide: A First Principles StudyApr 28, 2022Parameterizing empirical interatomic potentials for predicting thermophysical properties via an irreducible derivative approach: the case of ThO$_2$ and UO$_2$Sep 6, 2023Optical pulse induced ultrafast antiferrodistortive transition in SrTiO3Nov 20, 2024Xenon-metal pair formation in UO2 investigated using DFT+UAug 16, 2023First-principles determination of the phonon-point defect scattering and thermal transport due to fission products in ThO2Dec 6, 2024Impact of dynamic Jahn-Teller effect on magnetic excitations, lattice vibration, and thermal conductivity in UxTh1-xO2 systemAug 6, 2025Engineering Phonons in Compositionally Complex Carbide CeramicsJan 28, 2026Vibrational and Electronic Properties of Np2O5 from Experimental Spectroscopy and First Principles Calculations