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Meeting MS&T24: Materials Science & Technology
Symposium Integrated Computational Materials Engineering for Physics-Based Machine Learning Models
Presentation Title A Multiscale Simulation Investigation of Cavity Evolution in a Ni TPBAR Coating
Author(s) William E. Frazier, Giridhar Nandipati, Danny Edwards, Andrew Casella, David Senor
On-Site Speaker (Planned) William E. Frazier
Abstract Scope Under irradiation, the LiAlO2 pellets within the Tritium-Producing Burnable Absorber Rod (TPBAR) assembly release tritium, which is absorbed by the nickel-plated Zircaloy-4 “getter” tubing. The Ni coating prevents the oxidation of the getter tube, which would degrade its absorption properties. Therefore, the resilience of the Ni coating under irradiation is of particular interest for promoting the effective operation of the TPBAR. To this end, the cavity formation and growth within the Ni coating was modeled by coupling atomic-scale Kinetic Monte Carlo (KMC), rate theory, and Potts Model simulations. KMC simulations predicted the formation and growth rates of vacancy clusters as a function of vacancy, tritium, and transmuted helium atom concentrations. Rate theory calculations predicted these rates as a function of position within the Ni coating. Finally, Potts Model simulations predicted the cavity size distributions. Predicting the impact of changes in Ni coating microstructure and service conditions are discussed.

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A Multiscale Simulation Investigation of Cavity Evolution in a Ni TPBAR Coating
Advanced Coupling of an FFT-Based Mesoscale Modeling Method to a Macroscale Finite Element Method
B-1: Statistically Equivalent Virtual Microstructures for Modeling of Complex Polycrystalline Alloys Using a Generative Adversarial Network (GAN)-Enabled Computational Platform
Deep Generative Model for Reproducing Microstructure of Low-Carbon Steel During Continuous Cooling
Deep Learning for Early Detection and Localization of Damage in Metal Plates
Developing Data-Driven Strength Models Incorporating Temperature and Strain-Rate Dependence
Hybrid Machine Learning Informed Design Guidelines for Structural Gradient Alloys with Enhanced Performances
Phase-Field Modeling of Grain Evolution and Recrystallization in Friction Stir Processing
PRISMS-MultiPhysics: An Open-Source Coupled Phase Field-Crystal Plasticity Framework and its Application to Simulate Twinning in Magnesium Alloys
Thermodynamic Integration for Dynamically Unstable Systems Using Interatomic Force Constants without Molecular Dynamics
Utilizing Convex Neural Networks to Predict the Yield Surfaces of Polycrystalline Samples with Complex Crystallographic Textures

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