Ashley E Shields Contact shieldsae@ornl.gov | 865.341.1810 All Publications Raman spectroscopic investigation of selected natural uranyl sulfate minerals Structural features of early fuel cycle taggant incorporation for intentional nuclear forensics CURIES: Compendium of uranium Raman and infrared experimental spectra Pressure modulated charge transfer and phonon interactions drive phase transitions in uranium–aluminum laves phases Pressure-induced evolution of the lattice dynamics for selected UO3 polymorphs Phase Field Sintering Simulations of Tagged UO2 Sensitivity of UO2 fuel performance to microstructural evolutions driven by dilute additives Investigating the role of phonons in the phase stability of uranium-based Laves phases Nuclear fuel irradiation testbed for nuclear security applications Computational investigation of hydrogen-induced phonon changes in carbon fiber... Irradiation of Isotopically Tagged UO2 Fuel for Intentional Forensics Purposes... Density functional theory investigations into the magnetic ordering of U3O8... Unexpected features in the optical vibrational spectra of δ-UO3... Structural Characterization of Uranium Tetrafluoride Hydrate (UF4·2.5H2O) Optical Vibrational Spectra and Proposed Crystal Structure of ε-UO3... Computational investigations of Dienes defect- and vacancy-induced changes in the electronic and vibrational properties of ca... Inelastic Neutron Spectra of Uranium Tetrafluoride Hydrate, UF 4 (H 2 O) 2.5... Ab initio calculations of material properties for modeling debris: FY21 Progress Report... ALCC 2021-2022 Quarterly Report Q1... Reviewing computational studies of defect formation and behaviors in carbon fiber structural units... Structural, Spectroscopic, and Kinetic Insight into the Heating Rate Dependence of Studtite and Metastudtite Dehydration... Advances in Structure Prediction of Lanthanides and Actinides with Genetic Algorithms... Structural features of solid-solid phase transitions and lattice dynamics in U3O8... Interaction of Hydrogen with Actinide Dioxide (011) Surfaces... Computationally Guided Investigation of the Optical Spectra of Pure β-UO3... Pagination Current page 1 Page 2 Next page ›› Last page Last » Key Links ORCID Organizations National Security Sciences Directorate User Facilities Oak Ridge Leadership Computing Facility