About this Abstract |
Meeting |
2023 TMS Annual Meeting & Exhibition
|
Symposium
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Deformation Mechanisms, Microstructure Evolution, and Mechanical Properties of Nanoscale Materials
|
Presentation Title |
G-20: The Effects of Local Structures on the Dislocation Transmission Across Symmetric Tilt Grain Boundaries in Cu via Atomistic Simulations |
Author(s) |
Khanh Dang, Sumit Suresh, Avanish Mishra, Nithin Mathew, Edward Kober, Saryu Fensin |
On-Site Speaker (Planned) |
Khanh Dang |
Abstract Scope |
Dislocations, grain boundaries (GB), and their interactions play a major role in the plasticity and fracture of polycrystalline metals. While there have been many dislocation-GB interaction studies, they tend to simplify the problems by only considering a subset of low-energy GB structures, which is not representative of those observed in experiments. In this work, molecular dynamics (MD) simulations are utilized to comprehensively study the dislocation- symmetric tilt grain boundary (STGB) interactions in Cu. A database of over 2,000 MD simulations of the interactions is generated for a wide range of dislocations (edge, screw, and mixed) and GB metastable structures under different loading conditions. Importantly, the GB structures are analyzed using strain functional descriptors that can be correlated to the outcomes of the interactions via machine learning techniques. The overall roles of the GB structures will be discussed with the focus on specific examples of the Σ3 [110](112) and Σ41 [110](338). |
Proceedings Inclusion? |
Planned: |
Keywords |
Modeling and Simulation, Mechanical Properties, |