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Meeting 2024 TMS Annual Meeting & Exhibition
Symposium Materials Informatics to Accelerate Nuclear Materials Investigation
Presentation Title Utilizing Mechanistic Modeling and Uncertainty Analysis to Support Nuclear Fuel Qualification
Author(s) Christopher Matthews, Michael WD Cooper, Pieterjan Robbe,, Habib N Najm, David Andersson
On-Site Speaker (Planned) Christopher Matthews
Abstract Scope By breaking down material behavior to the fundamental behavior of defects, multi-scale models can be built that are based in physical reality, but functional enough to extend to extreme environments, i.e., high temperature and high dose. Through the implementation of atomisticly derived data in a cluster dynamics code, we are able to predict the diffusivity of fission gas in nuclear fuel, achieving quantitative comparison for commonly used fuels, as well as prediction of behavior in the absence of data for exotic fuel types. These mechanistic models are then extended with machine learning techniques to cascade uncertainty quantification to integral, measurable predictions of defect species behavior. The combination of mechanistic modeling with Bayesian approaches facilities rapid fuel qualification by quantifying model uncertainty. This in turn provides clear guidelines for experimental campaigns or modeling efforts to decrease prediction uncertainty, and ultimately operational margin.
Proceedings Inclusion? Planned:
Keywords Computational Materials Science & Engineering, Nuclear Materials, Modeling and Simulation

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

Accelerating Characterization of Radiation Driven Processes using Machine Learning Tools
Characterizing Microstructures in Aluminide Coatings Captured in SEM Image with Convolutional Neural Networks
Deep Neural Network for Porosity and Microstructure Analytics of a High Burnup U-10Zr Metallic Solid Fuel
Defect Evolution in Multi-principal Chemically Disordered Alloys from Multiscale Simulations
E-25: Feature Engineering for Construction of High-accuracy Thermal Conductivity Prediction Model for Uranium Compounds
E-26: Materials Genomics Search for Possible Helium-absorbing Nano-phases in Fusion Structural Materials and Experimental Validation
Emergent Molecular Structure and Dynamics of Tetrahedral Liquids Revealed by Neural Network Forcefield Simulations and Neutron Spin Echo Experiments
Few-shot Machine Learning for Automated Analysis of TEM Images of Nuclear Materials
Influence of Empirical Potentials on Data Quality in Computational Studies of Zr Alloys
Inverse Uncertainty Quantification of Dispersion Analysis Research Tool (DART) Parameters Necessary for the Calculation of Fission Gas Swelling in U-Mo Fuel
Machine Learning Enhanced Kinetic Monte Carlo Modeling of Molten Salt Corrosion of Ni-Cr Alloys
Machine Learning for Predicting Reactor Pressure Vessel Embrittlement
Materials Genomics Search for Helium-absorbing Nano-phases in Fusion Structural Materials
Modeling Cascade Damage in Tungsten Using Machine Learning SNAP Interatomic Potential: Electron-Phonon Interaction Model
Neural Networks of Defect Kinetics in Refractory Alloys
Optimizing Thermal Conductivity Prediction of Uranium Compounds using Balanced Multiclass Classification
Probing Radiation Induced Interface Metastability Using Deep Learning Object Detection
Putting Artificial Intelligence into Action to Quantify Radiation Effects in Materials
Quantitative Insight to Fission Gas Bubble Distribution and Lanthanide Movement in Irradiated Annular U-10Zr Metallic Fuel Using Deep Learning
Revealing the Story of Defects from Coupled Extreme Environments with Autoencoders and Dense Neural Networks
Scaling Ductility from Microscale to Bulk by Coupling Crystal Plasticity Simulations with 3D Convolutional Neural Networks
Scanning-TEM (STEM) 3D Tomography for Quantification of Radiation Damage in Neutron Irradiated 316L Stainless Steel
Synthetic Data Driven Materials Informatics Methods for Nuclear Materials Characterization
Utilizing Mechanistic Modeling and Uncertainty Analysis to Support Nuclear Fuel Qualification

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