| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
Chemistry and Physics of Interfaces
|
| Presentation Title |
Stabilization of Polycrystalline Alloys by Solute Segregation |
| Author(s) |
Omar Hussein, Yuri Mishin |
| On-Site Speaker (Planned) |
Omar Hussein |
| Abstract Scope |
In recent years, significant efforts have been made to stabilize polycrystalline materials against grain growth through alloying. We present a model of a polycrystalline alloy with strong grain boundary (GB) segregation of the solute atoms. The model combines the Q-state Potts model, representing the lattice orientations in the grains, with solid-solution thermodynamics and kinetics. The model is implemented in kinetic Monte Carlo simulations capturing the concurrent processes of grain growth/refinement, GB segregation, and solute diffusion. It also includes short-circuit diffusion along GBs. The simulations confirm that a polycrystalline alloy can be fully stabilized against grain growth by minimizing the total free energy. We investigate the structure of the fully stabilized polycrystals and the grain refinement process leading to its formation. It is shown that the solute diffusion rate plays a significant role in the grain stabilization process and the resulting polycrystalline structure. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Modeling and Simulation, Nanotechnology |