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Meeting 2020 TMS Annual Meeting & Exhibition
Symposium Characterization: Structural Descriptors, Data-Intensive Techniques, and Uncertainty Quantification
Presentation Title Large-scale Defect Contrast Simulations for Scanning and Transmission Electron Microscopy
Author(s) Marc J. De Graef
On-Site Speaker (Planned) Marc J. De Graef
Abstract Scope Transmission electron microscopy (TEM) has for several decades been the tool of choice for the study of lattice defects such as dislocations and stacking faults. In recent years, electron channeling contrast imaging in the scanning EM (SEM) has provided access to surface penetrating defects. Defect image contrast simulations, on the other hand, have not kept up with the experimental capabilities in the sense that they have only been possible for simple defect geometries, e.g., straight dislocations in an infinite sample. In this presentation, we will review recent advances in the incorporation of defect displacement fields generated by molecular dynamics simulations, phase field simulations, and discrete dislocation dynamics simulations into the electron dynamical scattering formalism. We will review briefly the theory of image formation for TEM and SEM, and provide examples of image simulations for a number of realistic defect configurations generated by these simulation approaches.
Proceedings Inclusion? Planned: Supplemental Proceedings volume

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

100 Years of Scherrer Modifications: Demystifying Diffractogram Width Analyses for Nanocrystalline Materials
3D Morphological Characterization of Porous Cu by Vapor Phase Dealloying Zn-Cu Alloys
A New Crystallographic Defect Quantification Workflow via Advanced-microscopy-based Deep Learning
Advancement of Data Intensive Approaches in Materials Discovery and Design
Adversarial Networks for Microstructure Generation and Modeling Phase Transformation Kinetics
Application of Machine Learning to Microstructure Quantification and Understanding
Artificial Intelligence Approaches to Microstructural Science
Automated Anomaly Detection in Unlabeled Computed Tomography Images
Basis Functions for Quantifying Grain Boundary Texture in Polycrystalline Microstructures
Characterizing GB Atomic Structures at Multiple Scales
Characterizing the Energetics and Structural Configurations of Silicon Carbide Grain Boundaries Using High-throughput Atomistic Techniques
Deep Convolutional Networks for Image Reconstruction from 3D Coherent X-ray Diffraction Imaging Data
Determination of Representative Volume Elements for Small Cracks in Heterogeneous Domains via Convolutional Neural Networks
Feature Engineering of Material Structure for Extracting Process-structure-property Linkages
GB Property Localization: Inference and Uncertainty Quantification of Grain Boundary Structure-property Models
Higher Order Spectral Terms in Grain Boundary Networks
Indexing of Electron Back-Scatter Diffraction Patterns Using a Convolutional Neural Network
Integrated Structural Methods Addressing Aviation Challenges in Composites
Investigating the Atomistic Nature of Grain Boundary Failure
Investigating the Effect of Solute Segregation to Grain Boundaries in Nanocrystalline Alloys Toward Stability and Strengthening
Investigations of Microstructural Effects on Porosity Evolution
Large-scale Defect Contrast Simulations for Scanning and Transmission Electron Microscopy
Large Scale Microstructure Synthesis Using LEGOMAT: Application to Additive Manufacturing
Machine Learning and Electron Backscatter Diffraction
Machine Learning Approach for On-the-fly Crystal System Classification from Powder X-ray Diffraction Pattern
Machine Learning Approaches to Image Segmentation of Large Materials Science Datasets
Machine Learning Reinforced Crystal Plasticity Modeling of Titanium-Aluminum Alloys under Uncertainty
Methods for the Correction of Epistemic Resolution Error through Data Collection Process Simulations
Microstructural Evolution Along Geodesics
Monte Carlo Studies of EBSPs Spectroscopy
Neural Networks for Real-time Processing of Scanning Transmission Electron Microscopy Data
Parametric Models for Crystallographic Texture: Estimation and Uncertainty Quantification
Predicting Compressive Strength of Consolidated Solids from Features Extracted from SEM Images
Predicting Crack Location Using a Radial Distribution Function as a Unique Descriptor of Pore Networks
Predicting Microstructure-sensitive Fatigue-crack Path in 3D Using a Machine Learning Framework
The Grain Boundary Octonion: Metrics, Paths, and Fundamental Zones
Uncertainty Propagation in a Multiscale CALPHAD-reinforced Elastochemical Phase-field Model
Uncertainty Quantification of Far-field HEDM Measurements
Uncertainty Quantification Techniques Applied to Ductile Damage Predictions in the 3rd Sandia Fracture Challenge
Utilizing Convolutional Neural Networks for Prediction of Process and Material Parameters from Microstructural Images
X-Ray Computed Tomography of 3D Crack Lattices in Advanced Ceramics and their Effect on Mechanical Response

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