Ashley Shields Contact SHIELDSAE@ORNL.GOV All Publications 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 Computationally Guided Investigation of the Optical Spectra of Pure β-UO3 Interaction of Hydrogen with Actinide Dioxide (011) Surfaces... Characterizing the degradation of [(UO2F2)(H2O)]7 4H2O under humid conditions Formation of a uranyl hydroxide hydrate via hydration of [(UO 2 F 2)(H 2 O)] 7 ·4H 2 O Additional complexity in the Raman spectra of U3O8 Analysis of Water Coupling in Inelastic Neutron Spectra of Uranyl Fluoride Vibrational properties of uranium fluorides The Impact of Coordination Environment on the Thermodynamic Stability of Uranium Oxides Elucidation of the structure and vibrational spectroscopy of synthetic metaschoepite and its dehydration product Interaction of hydrogen with actinide dioxide (111) surfaces... Shining a light on amorphous U2O7: A computational approach to understanding amorphous uranium materials Noncollinear Relativistic DFT + U Calculations of Actinide Dioxide Surfaces Magnetic Structure of Uo2 and Npo2 by First-principle Methods Characterizing the Chemical Behavior of Uranium Compounds for Nuclear Forensics Hidden magnetic order in plutonium dioxide nuclear fuel Pagination First page « First Previous page ‹â¶Ä¹ Page 1 Current page 2 Key Links Organizations National Security Sciences Directorate User Facilities
Research Highlight Discovery of Spectrographic Features in Uranium Compounds through Machine Learning
