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Meeting 2023 TMS Annual Meeting & Exhibition
Symposium Ceramic Materials for Nuclear Energy Research and Applications
Presentation Title Modelling the melting temperature of CrUO4 to assess its behaviour during the sintering of Cr-doped UO2
Author(s) Sarah Vallely, Conor Galvin, Michael Cooper, Simon Middleburgh
On-Site Speaker (Planned) Sarah Vallely
Abstract Scope Cr2O3 is added to UO2 during fabrication to enhance grain growth. The large grains are anticipated to improve the mechanical properties of the fuel and increase fission gas retention. Previous atomic scale simulations and experimental work predict that when Cr2O3 is added to hyper-stoichiometric UO2, the excess lattice oxygen atoms are transferred to form a secondary CrUO4 phase. Limited data published on CrUO4 means that its behaviour during the sintering and irradiation of Cr-doped UO2 is largely unknown. Despite literature reporting the decomposition temperature of CrUO4, the solidus and liquidus of the compound is yet to be investigated. This work uses classical molecular dynamics to predict the melting temperature of CrUO4 to assess the possibility of such a phase contributing to liquid phase sintering in Cr-doped UO2, promoting grain growth. The formation energy of CrUO4 is also assessed using DFT to predict the UO2+x non-stoichiometry at which it forms.
Proceedings Inclusion? Planned:
Keywords Nuclear Materials, Ceramics,

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

Advanced Characterization and Modeling of Nanoprecipitates in Spent Nuclear Fuel
Atomic scale simulation of amorphous intergranular films in nuclear fuel materials
Atomistic-scale simulations used to simulate creep in oxide fuel
Atomistic and mesoscale modeling of fission gas and fission products diffusivity in TRISO fuel kernels
Atomistic investigation of radiation-induced defects in ThO2
Cluster dynamics modeling of defects and fission gas in Gd doped UO2 under irradiation
Comparison of the electronic transport of UN and ThN versus ThC
Comprehensive characterization of damage in ion irradiated ceramics for validation of atomistic models
Defect chemistry and radiation stability of (Gd & Zr) co-doped UO2
Development of UC/UO2 Composite Fuels for Light Water Reactors
Diffusion properties in uranium-plutonium mixed oxides: atomic scale investigation of the effect of composition and chemical disorder
Emulation of Microstructures and Tritium Behavior in Lithium Aluminate by Ion Irradiation
Hidden defect evolution mechanism in ThO2 revealed by atomistic modeling
High-Entropy Carbide Ceramics: New Materials for Extreme Environments in Nuclear Energy Applications
Impact of Resonance Scattering on the Thermal Conductivity of ThO2
Improving uranium mononitride behaviour using uranium diboride addition
Irradiation- and dopant-induced structural changes in ceramic nuclear fuels probed via elastic and optical properties
Low-temperature fabrication of ceramic tritium breeder materials, for enhanced control of microstructure and phase formation
Microstructural characterization of neutron irradiated concrete minerals
Microstructural, Mechanical and Thermal Characterization of High Entropy Carbide Ceramics
Modelling the melting temperature of CrUO4 to assess its behaviour during the sintering of Cr-doped UO2
Multiphysics Modeling of High Burnup UO2 at Mesoscale
Multiscale Modeling for High-burnup Structure Formation in UO2
Oxidation Behavior and Mechanisms of the SiC Coating in TRISO Fuel Particles
Phase equilibria and thermodynamics of tri-carbide fuels for nuclear thermal propulsion
Predicting mechanical behavior of Uranium oxide fuel pellets using full-field defect diffusion modeling in a crystal plasticity framework
Quantifying irradiation-induced defects in SiC and WC through stored energy measurements of radiation damage
Quantifying the impact of fast interface diffusion and free surface evolution on fission gas release in UO2 using a phase-field model
Radiation Damage in Lithium Oxide, a Surrogate for Beryllium Carbide
Radiation damage of ion-irradiated high entropy ceramics
Radiation shielding ceramics with enhanced performance and scalability
Radiation studies on the TiZrNbHfTa high entropy alloy and its hydrides.
Relating Microstructural Evolution and Stoichiometry to Tritium Release from Ternary Lithium Ceramics
Revealing The Microstructure and Irradiation Effects on UO2 Fracture Via Coupled Phase-Field and MD Simulations Approach
Scanning Transmission Electron Microscopy of Nanoprecipitates in Spent UO2 Nuclear Fuel
Silica Formation on SiC Following Steam Attack
Simulation of irradiation-induced bubble over-pressurization and application in fuel performance
Soft X-ray Synchrotron Radiation Spectromicroscopy of Spent Nuclear Fuel Focused Ion Beam Sections
Surface Modification Strategies for Hydrogen Retention in Hydride Moderators
Susceptibility of Nuclear Fuel Ceramics to Oxidation and Hydridization during Off Normal Events
Thermomechanical characterization of advanced reactor alloys and composites exposed to high-temperature gas environments
Uranium Silicide Processing for Advanced Reactors
Zirconia-coated uranic fuel particles processing and in situ sintering characterisation

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