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Meeting 2016 TMS Annual Meeting & Exhibition
Symposium Computational Materials Engineering for Nuclear Reactor Applications
Presentation Title Silicon and Vacancy Diffusion near an Edge Dislocation in Nickel under Irradiation
Author(s) Zebo Li, Thomas Garnier, Venkateswara Manga, Maylise Nastar, Pascal Bellon, Robert Averback, Dallas R Trinkle
On-Site Speaker (Planned) Zebo Li
Abstract Scope Irradiation produces large point defect concentrations in nuclear reactor materials, leading to enhanced creep rates that can limit reactor efficiency and application lifetime. Accurate modeling of dislocation climb and solute segregation under irradiation, which can provide information for the creep rate evolution, requires a quantitative description of point defect diffusion to sinks like dislocations. We apply phase field simulations to study the time evolution of vacancies and silicon solutes near an edge dislocation in nickel for highly saturated vacancy concentrations due to irradiation. The phase-field model uses Onsager transport coefficients computed from first principles data and self-consistent mean field theory to predict point defect diffusion in the dislocation strain field. We find that large vacancy concentrations enhance Si diffusion and segregation to the dislocation core. We also examine the effects of point defect concentrations and stress on the dislocation climb velocity.
Proceedings Inclusion? Planned: A print-only volume

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

3D Phase Field Simulation of Grain Growth in Porous UO2
An Overview of the Fuel, Materials and Chemistry Focus Area within the CASL Energy Innovation Hub
Analysis of the Candidate Alternative Fuel Cladding FeCrAl during LWR Operation Using the BISON-CASL Fuel Performance Code
Cluster Dynamics Modeling of Damage Evolution in Iron Chrome Alloys
Cluster Dynamics Modeling of Extended Defects in Irradiated UO2 with Off-stoichiometry Considerations
Computational Materials Engineering for Reactor Applications Using the Open-Source MOOSE Framework
Computer Modeling of Hydrogen and Oxygen Transport during Zirconium Corrosion
Coupled Micro/Meso/Macro Modeling of the Crud Source Term in Light Water Reactors
Coupled PWR Oxidation Modeling with the HOGNOSE Code
Coupling Radiation Damage from Binary Collision Monte Carlo to Phase Field Microstructure Evolution
Development and Application of Accident Tolerant Fuel Models
Development of the NEAMS Fuels Product Line
Enhanced Helium Clustering Process in Iron
First Principles Neural Networks and Diffusion in Nuclear Structural Materials
Long-Term Defect Evolution in Iron-based Alloys from SEAKMC Simulations
Microstructure-explicit Rate Theory Modeling of Point Defect Transport during Irradiation Damage
Molecular Dynamics Simulations on Homogeneous Hydride Nucleation in Alpha-Zr
Multi-scale Simulation of Fission Gas Diffusion in UO2 Nuclear Fuel
Multiscale Modeling of the Coherency Loss of Hydrides in αZr
One Dimensional Migration and Gas Bubble Superlattice Formation in UMo Metal Fuels--a Phase-field Model
Optimization of Self-interstitial Clusters in 3C-SiC Using Generic Algorithm
PCI Analysis of a Commercial PWR using Bison-CASL Fuel Performance Code
Phase-field modeling of ODS particle behavior in the metallic system.
Predicting the Radiation Dependent Flow Stress and Cleavage Failure in RPV steels using Crystal Plasticity
Role of Stoichiometry on Ordering in Ni-Cr Alloys
Silicon and Vacancy Diffusion near an Edge Dislocation in Nickel under Irradiation
Stochastic Modeling of the Corrosion of Zirconium and its Alloys: Theory and Application to Autoclave Corrosion
Structural Integrity Analysis of Reactor Pressure Vessel with Lamellar Flaws in Grizzly
Thermo-Mechanical Analysis of SiC/SiC Composite Cladding for LWR Application.
Thermodynamic Modeling of Complex Oxide Phases in U-M-O Systems where M = Ce, Nd, Pr, La, Y, Gd, and Th
Validation of BISON Calculation of Hydrogen Distribution by Comparison to Experiment
Z-10: Texture Measurement and Prediction of Rolled α-uranium Foil
Z-11: Using Phase Field Modelling to Investigate the Bubble Lattice Phenomenon in Nuclear Fission Materials
Z-1: A Spatially Resolved Stochastic Cluster Dynamics Approach for Simulating Radiation Damage Accumulation in α-Fe
Z-2: Ab initio Study of Native Defects Near the Stacking Faults of 3C-SiC
Z-3: Beryllium Segregation to Zr(0001) Surface by First Principles
Z-4: Cluster Dynamics Modeling of Coupling of Cu-rich and Mn-Ni-Si Precipitates in RPV Steels
Z-5: Computational Modeling of the Structure of Jogged Screw Dislocations Responsible for Zircaloy Creep
Z-6: Dislocation Loop Sink Strengths: A 3D Phase-field Modelling Including Realistic Anisotropic Effects
Z-7: Gas Bubble Kinetics in an Irradiated U-Mo Using a Multistate Simulation Approach
Z-8: Phase Field Model of Multiphase Hydrides in Zirconium Fuel Rod Claddings
Z-9: Sensitivity Analysis of Rate Equations and Kinetic Monte Carlo Models

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