Pressure-induced evolution of the lattice dynamics for selected UO3 polymorphs

2023/06/15 by Ashley E. Shields, J. L. Niedziela, J.L. Niedziela +7 · 4 citations
Chemistry · Earth and Planetary Sciences · Materials Science · #Anisotropy #Atom (system on chip) #Chemistry #Computational chemistry #Condensed matter physics #Crystal structure #Crystallography #Density functional theory #High-pressure geophysics and materials #Isotropy #Lattice (music) #Materials science #Molecular dynamics #Nuclear Materials and Properties #Nuclear fuel #Phonon #Physics #Radioactive element chemistry and processing #Uranium #Uranium dioxide #Uranium oxide

paper · open access · doi:10.1016/j.jnucmat.2023.154577

published in Journal of Nuclear Materials 584, 154577 (Elsevier BV)

openalex publication_date 2023/06/15 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28

Citations

• VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data
• Single-crystal structure validation with the programPLATON

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• High-pressure single-crystal X-ray diffraction and Raman spectroscopy of boltwoodite, K0.63Na0.37[(UO2)(SiO3OH)](H2O)1.5
• An experimental and computational investigation of the structure and spectroscopic signatures of α-UO3