| About this Abstract |
| Meeting |
2022 TMS Annual Meeting & Exhibition
|
| Symposium
|
Grain Boundaries and Interfaces: Metastability, Disorder, and Non-Equilibrium Behavior
|
| Presentation Title |
Competition Between Shear Coupling and Sliding in Doped Nickel Grain Boundaries |
| Author(s) |
Spencer Thomas, Jason Trelewicz |
| On-Site Speaker (Planned) |
Spencer Thomas |
| Abstract Scope |
The Disconnection Model, originally applied to explain shear-coupled grain boundary (GB) migration and GB sliding, has grown to a general description of GB migration and stress interactions, driving full-scale microstructure evolution models. Every GB has a set of disconnection modes, each with an associated step height and burgers vector. The nucleation/migration barriers of different modes determine GB mobility, shear-coupling, and sliding under general stress conditions. It is generally unknown how these barriers are influenced by dopants – this is critical, as alloying is necessary to stabilize nanocrystalline polycrystals. Dopants generally impede GB migration, but it is not known how dopants affect shear-coupling and sliding. We developed a method to determine barriers via molecular dynamics and statistical theory and show that the Σ39[111] symmetric-tilt GB shows greater sliding proclivity in a Ni-Cu alloy relative to pure Ni. This method can be automated and used to generate barrier databases and predictive models. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Modeling and Simulation, Thin Films and Interfaces |