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Meeting 2026 TMS Annual Meeting & Exhibition
Symposium Advanced Characterization Techniques for Quantifying and Modeling Deformation
Presentation Title Understanding the Role of Grain Boundary Misorientation on Schmid and Non-Schmid Effects in BCC Metals Using Molecular Dynamics Simulations
Author(s) Evan Byers, Phillip Tsurkan, Avinash M Dongare
On-Site Speaker (Planned) Avinash M Dongare
Abstract Scope Current strategies to understand Schmid and non-Schmid effects (twinning, anti-twinning) in BCC metals have predominantly focused on single crystal systems. This leaves the role of grain boundary misorientation, present in polycrystalline systems, underdeveloped. This study employs virtual texture (VirTex) analysis of MD-generated microstructures to explore the role of grain boundary tilt misorientation, using bicrystal systems, on twinnability. VirTex, by allowing the explicit tracking of twins, shows that at misorientations approaching 60° and 120° twinning is suppressed, while at lower and higher misorientations it is not. Anti-twinning is suppressed for all misorientations. This presentation will outline our approach for understanding the influence of grain boundary tilt misorientation, in relation to loading orientation, and loading conditions on twinnability in BCC metals.
Proceedings Inclusion? Planned:
Keywords Computational Materials Science & Engineering, Mechanical Properties,

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

3D In­Situ Characterization of Twinning in Neighboring Mg­-4Al Grains Using Dark­-Field X-­Ray Microscopy
A Crystal Plasticity Fast-Fourier Transform Model to Probe Slip Localization Development in Precipitation-Hardened IN-718
A General Functional Representation of the Average Dislocation Velocity Based onProbabilistic Cellular Automaton Simulation of the Kink-Pair Mechanism
A Gradient-Based Approach for Recovering Admissible Intragranular Strain and Orientation Fields from High-Energy X-Ray Diffraction Data
Accelerating Magnesium Alloy Research: Simulation-Assisted HEDM Experiments and Data Practices
Advanced EBSD-Based Identification of Deformation Twinning Using MTEX
Advanced SEM-Based Multimodal Characterization Approach of The High Temperature Behaviour of Additively Manufactured GRX-810
Application of a Linear Homography Based Approach for Absolute Residual Deformation Extraction from Electron Backscatter Diffraction Patterns
Application of Mechanical Equilibrium to Correct HR-EBSD and 3D-XRD Stress Measurements
Application of X-Ray Microscopy and Machine Learning in Analyzing Metal Matrix Syntactic Foams
Characterization of Nanoscale Dislocation Loops Via High-Accuracy g·b Analysis with Higher Order Reflections
Characterizing the Localized and Stress-Induced χ Phase Transformation in a Ni-Based Superalloy
Correlative 4DSTEM Study of Deformation Near Serrated Grain Boundaries
Deformation Micromechanisms in Different Generation Ni-Based Single Crystal Superalloys with a Focus on TMS-238 Specific Behavior
Dislocation Mobility in FeCr Alloys: Stress Correlation Effects in Discrete Dislocation Dynamics Simulations
Dislocation Structures and Their Effect on Work-Hardening in Deformed High Purity Iron
Dynamics of Portevin-Le Chatelier Banding Revealed Through Grain Refinement in High-Mn Austenitic Steel: Sequential Overcoming of Necking
Elasto-Visco-Plastic Modeling of Dual Phase Steel
Enabling Micro-Thermomechanical Modelling Using a Novel Continuous-Wave Laser and SEM Coupling
Enabling Plane Strain Fracture Testing in Size-Limited Specimens Via Electrodeposition-Based Constraint Restoration
Evaluation of Machining Deformation in High Temperature Superalloys Using Grazing-Incidence X-Ray Diffraction Methods
Evolution of Supersaturated Metastable Phase in Sputtered CuFe Alloy
Examining the Intragranular Elastic Strain Fields Ahead of a Small Fatigue Crack in Pure Nickel Using Point Focused X-Ray Diffraction Microscopy
Exploring Void Initiation in Structural Alloys with Advanced EBSD Techniques
G-1: A Combined Experimental and Computational Study on Quench Cracking Characterisation and Martensite Evolution in Bearing Steels
G-2: Characterization of Active Slip Systems in Mg-Y Alloys Via In Situ Micropillar Tension of Single- and Bi-Crystals
G-38: Microstructural Characterization and Crystal Plasticity Modeling for Ti-6Al-4V for Predicting Forming Limit Diagrams.
G-3: Dynamic Grain-Boundary Strengthening Contributes to Hardening During Microindentation
G-4: Measuring and Modeling Geometrically Necessary Dislocation Densities in Magnesium Alloys Using EBSD and PRISMS-Plasticity
G-5: On the Role of Slip and Interfaces on Plastic Localization Behavior in Ferritic-Martensitic Steels for Next-Generation Nuclear Reactors
G-6: Revealing Dissolution and Reprecipitation Behaviors of Inert Phases in LPBF Structures via Extraction Replication
G-7: Study on Microscale Strain Localization and Slip Activity in Ferritic AISI 420 Steel Via Digital Image Correlation and Crystal Plasticity Modeling
G-8: Xtending the LAPX Model for the Prediction of Creep of Ni-Superalloys Using High Performance Computing
High-Resolution, Correlative 4D STEM Orientation Analysis with STEMx OIM and DigitalMicrograph
In-Situ Characterization and Modeling of Molecular Crystal Mechanical Response
In-Situ Material Characterization of Steel Through High-Speed Imaging During Orthogonal Cutting
In-Situ TEM Investigation of Fracture Growth in Novel Nanolaminate Thin Films
Influence Of Multiaxial Deformation and Temperature on the Extent Of Strain-Induced Martensitic Transformations in Stainless Steels: Experiments and Crystal Plasticity Modeling
Intragranular Evolution of Slip System Strength and Activity in Titanium Using Point-Focused High-Energy Diffraction Microscopy
Investigating Damage Initiation in Shock Loaded Titanium
Irrational Core Induced Low Mobility of Edge Pyramidal Dislocations in Magnesium
Learning Metal Microstructural Heterogeneity Through Spatial Mapping of Diffraction Latent Space Features
Local Deformation Mapping: High-Resolution over Large-Area Characterization of Deformation of Microstructures
Low-Temperature Peierls Stress Mapping in MAX Phases via Cryogenic Micropillar Compression
Microstructure Informatics: Insights into Selective Grain Growth in Polycrystalline Ni-Base Superalloys
Near-Theoretical Strength and Large Elasticity of Ceramic Reinforcements in Steels
Numerical Modeling of the Dynamic Compression Test Using Hopkinson Bar In The Aerospace Aluminum Alloy 7075-T6
Plastic Deformation Mechanisms of Mg-5.2Li Alloy Single Crystals Along Different Orientations Studied by Micropillar Compression
Quantification and Prediction of Defect-Induced Fracture Using Digital Twins
Quantifying the Fingerprint of Twinned Microstructures Through Surface and Three-Dimensional Techniques: A Comparative Study
Radiograph Post-Processing to Correct Mechanical System Errors for In-Situ MicroCT Metrology & DVC
Resolving Femtometer Spacing Changes and Corresponding Quasi-Static Nanostrain via Grazing Excidence Optical Diffraction Experiments (GEODE)
Role of Slip-Twin Interactions on the Nucleation and Stability of Deformation Twin Domains in Hexagonal Close-Packed Metals
SLIDE: Automated Identification and Quantification of Grain Boundary Sliding and Opening in 3D
Slip System Activity and GNDs in CP‑Ti Sheets Stretched to Post Necking Regimes Via Cyclic Bending Under Tension
Texture Evolution in TRIP/TWIP Steels: Synergistic Analysis Using Synchrotron and Neutron Diffraction with MTEX-Based Simulation
The Dynamics of Plastic Deformation Delocalization in Solid Solution-Strengthened FCC Alloys
Toward a Universal Framework for Avalanche Dynamics: From Crystal Slip to Fault Slip
Towards Interfacing Dark-Field X-Ray Microscopy to Dislocation Dynamics Modeling
Twin Network Formation During Rapid Twinning of Mg Alloy Utilizing a Micromechanics-Based Explicit Twin Nucleation Model
Twinning Interfaces- Addressing Key Issues
Understanding the Role of Grain Boundary Misorientation on Schmid and Non-Schmid Effects in BCC Metals Using Molecular Dynamics Simulations
Unexpected Dislocation Patterning Under [100] Tension Revealed by DFXM and CDD Modeling
Unveiling N-Induced Deformation Heterogeneity in Titanium: Insights from High-Resolution Digital Image Correlation and In-Situ Synchrotron X-Ray Diffraction
Using Discrete Harmonic Expansions and Equilibrium Conditions to Estimate Intragranular Stress Distributions in Polycrystals from Grain-Averaged Data
Utilizing Pattern Matching for High-Resolution Strain Analysis with EBSD
Variant Selection in Polycrystalline CuAlNi and NiTi Shape Memory Alloys Investigated with In-Situ X-Ray Topotomography
Viscoplastic Crystal Plasticity with Thermal and Dynamic Recrystallization Softening for Modeling Shear Localizations: Application to Top Hat Geometries Under High Strain Rates
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