A Combined Kinetic Monte Carlo and Phase Field Approach to Modeling Thermally Activated Dislocation Motion

A Computationally Scalable Time-parallel Approach for Melt Pool Resolved Simulations of Additive Manufacturing

A Finite Difference Analysis of the Effect of Graphene Additions on the Electrical Conductivity of Polycrystalline Copper

A Monte Carlo Model for the Formation and Evolution of Line Compound Systems Such as SiC

Accurate First-principles Predictions of Organic Molecular Crystal Polymorphism

Addressing Variability in Atomistic Predictions

An Entropy-maximization Approach for the Generation of Training Sets for Machine-learned Potentials

An Examination of the Dislocation Orientation Distribution Function as Test for CDD Theories

An Orientation-field Phase Field Model for Anisotropic Grain Growth

Application of Information Theory in Molecular Dynamics Simulations

Application of Vision Transformers in Tomography Image Segmentations of AM Parts

Calculating Cluster Diffusion Coefficients from Interatomic Potentials

Calibrating Uncertain Parameters in Melt Pool Simulations of Additive Manufacturing

Capturing Nanoscale Lattice Variations by Applying AI-powered Computer Vision Techniques on Synthetic X-ray Diffraction Data

Chemistry and Processing History Prediction from Materials Microstructure by Deep Learning

Clustering Algorithms for Nanomechanical Property Mapping and Resultant Microstructural Constituent Quantification

Coarse-graining Techniques for Migration of Solutes around Defects

Combining Discrete and Continuous in Time Stochastic Simulations in a Solid-solid Phase Field Simulation

Comparing Transfer Learning to Feature Optimization in Microstructure Classification

Computational Modeling of Dual Phase Titanium Armor

Conventional Ti Alloys for Aircraft Landing Gear Beams and Aeroengines—A Data-driven Analysis for Selection of Ti-based Alloys and Future Directions

Designing Thin Film Microstructures via Neuroevolution Guided Time-dependent Processing Protocols

Development of a New Shape Descriptor for Modeling and Uncertainty Quantification of Microstructures

Development of Interatomic Potential to Study Elementary Dislocation Properties in High Entropy Alloys: The FeNiCrMn Model Alloy

Development of Segregation Energy Predictions Utilizing Advanced Descriptors of Local Atomic Environments

Digital Representation and Quantification of Discrete Dislocation Structures

ExaCA: An Exascale-capable Cellular Automata Code for Microstructure Modeling

Exascale-capable Graph Convolutional Neural Network Surrogates for Atomic Property Prediction

Extending the KineCluE Code to the Computation of Transport Coefficients in Concentrated Alloys

FFT-based Polycrystal Plasticity Modelling: New Implementations and Integration with 3-D Imaging Techniques

Highly Accurate Prediction of Material Microstructure Using High-performance Phase-field Simulation and Data Assimilation

Improving Autonomous Data Collection by Iterative Learning Control as Applied to a Robomet.3D Mechanical Serial-sectioning System

Line Free 3D Dislocation Dynamics in Finite Domains

M-12: Discrete Stochastic Model of Point Defect-dislocation Interaction for Simulating Dislocation Climb

M-13: Finite Element Level-set Methods to Study Microstructural Evolution during Recrystallization and Grain Growth

M-14: Smoke Detection in Ladle Hot Repair Process Based on Convolution Neural Network

Machine Learning Models for Predictive Materials Science from Fundamental Physics: An Application to Titanium and Zirconium

Massive Parallelism for Theoretical Spectroscopy and Femtosecond Electron Dynamics First-principles Simulations

Materials Design, Model Calibration, and Multi-fidelity Modeling with Latent Map Gaussian Processes

Measuring Individual Grain Boundary Diffusivity Measurements in Polycrystal Molecular Dynamics Simulations

Microstructure and Porosity Predictions in Additively Manufactured Ti-6Al-4V Alloys Using a Hierarchical Modeling Approach

Modelling Solidification with Phase-field on High-performance Computers

Multiscale Modeling of Ni Alloys Selective Laser Melting Combining CalPhaD, Finite Elements, and Phase-field Methods

Neural Network Models of Phase Field Simulations

NOW ON-DEMAND ONLY - A Generalization of the Universal Equation of States to Develop Magnetic Interatomic Potentials

NOW ON-DEMAND ONLY - Interatomic Potentials for Materials Science and Beyond; Advances in Machine Learned Spectral Neighborhood Analysis Potentials

OpenMP GPU Offloading for Cellular Automaton Solidification Microstructural Model

Parameter Estimation of Phase-field Model Based on Microstructure Data and Its Uncertainty Quantification by the Adjoint Method

Physics-based Data-driven Discovery of Continuum Equations

Predicting Temperature-dependent Oxide Redox Reactions with Machine-learning Augmented First-principles Calculations

Quantum Computation for Predicting Solids-state Material Properties

Random Forest Regressor Models for the Prediction of Novel Alloy Corrosion Performance

Refinements to the Production of Machine Learning Interatomic Potentials

Simulating Dislocation Transport at Experimental Time Scales Using a Time-explicit Runge-Kutta Discontinuous Galerkin Finite Element Scheme

Statistical Predictions of Failure in Hydrided Zirconium Materials

Statistics of the Lattice Distortion of Dislocated Crystals

Using 2D, Dendrite-resolved, Melt-pool-scale Phase-field Simulations of Solidification as Reference Solutions for a Multiscale Model

Using Machine Learning Methods to Decode VOx Diffractograms

Verification of the Self-consistent Potential Correction as Applied to Charged 2D Materials

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