ProgramMaster Logo
Conference Tools for 2023 TMS Annual Meeting & Exhibition
Login
Register as a New User
Help
Submit An Abstract
Propose A Symposium
Presenter/Author Tools
Organizer/Editor Tools
About this Abstract
Meeting 2023 TMS Annual Meeting & Exhibition
Symposium Ceramic Materials for Nuclear Energy Research and Applications
Presentation Title Atomic scale simulation of amorphous intergranular films in nuclear fuel materials
Author(s) Michael J D Rushton, Simon C Middleburgh, William E Lee
On-Site Speaker (Planned) Michael J D Rushton
Abstract Scope The structure of the grain boundaries in uranium dioxide have a significant effect on nuclear fuel performance. These boundaries are often complex and highly disordered and it has been posited that, in some cases, amorphous intergranular films may form. Atomic scale simulations have been conducted to model amorphous structures for actinide oxide fuel materials. A combination of classical molecular dynamics, reverse Monte-Carlo and quantum mechanical methods were used to produce amorphous structures. Building on this, the material's propensity to deviate from stoichiometry, the magnetic structure and amorphous surface energies were computed. Non-stoichiometry was accommodated more readily in the amorphous system than the crystalline form. This indicates that stoichiometry deviations may be more readily accommodated in amorphous phases, if present, to leave a more stoichiometric crystalline phase – impacting processes including fission gas mobility, melting points and a number of other safety relevant properties.
Proceedings Inclusion? Planned:
Keywords Modeling and Simulation, Nuclear Materials, Thin Films and Interfaces

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

Questions about ProgramMaster? Contact programming@programmaster.org