About this Abstract |
Meeting |
2025 TMS Annual Meeting & Exhibition
|
Symposium
|
Advanced Characterization Techniques for Quantifying and Modeling Deformation
|
Presentation Title |
Investigating Twinnability in BCC Metals using Molecular Dynamics, Virtual Texture, and Virtual Diffraction |
Author(s) |
Phillip Tsurkan, Christian Sabatini, Evan Byers, Avinash M. Dongare |
On-Site Speaker (Planned) |
Phillip Tsurkan |
Abstract Scope |
Current strategies to understand deformation twinning in metals involve either deforming specimens to different strain levels and characterizing unloaded microstructures using electron backscatter diffraction (EBSD) and transmission electron microscopy (TEM), or conducting in-situ experiments. Non-Schmid effects such as anti-twinning and twinning asymmetry in BCC metals complicate the interpretation of these mechanisms. Molecular dynamics (MD) simulations offer a method for atomic scale investigation of the factors that affect twinning behavior; however, tools for extracting orientation information are limited. This study employs virtual texture (VirTex) and virtual diffraction analysis of MD-generated microstructures to explore the role of loading orientation on twinnability using Fe, Ta, and W as model systems. These techniques can characterize twin variants, including anti-twins, and enable a comparison of atomistic data with experimental results. This presentation will outline our approach for understanding the influence of orientation, loading conditions, and material system on twinnability in BCC metals. |
Proceedings Inclusion? |
Planned: |
Keywords |
Computational Materials Science & Engineering, Mechanical Properties, Modeling and Simulation |