| About this Abstract |
| Meeting |
2025 TMS Annual Meeting & Exhibition
|
| Symposium
|
Chemistry and Physics of Interfaces
|
| Presentation Title |
A Model of Thermodynamic Stabilization of Grain Boundaries |
| Author(s) |
Omar Hussein, Yuri Mishin |
| On-Site Speaker (Planned) |
Yuri Mishin |
| Abstract Scope |
Nanocrystalline (NC) materials are intrinsically unstable against grain growth. In this talk, we discuss the problem of suppressing grain growth by solute segregation, focusing on the pursuit of a special NC structure that minimizes the total free energy and eliminates the driving force for grain growth. To understand the nature of the full stabilization, we propose a simple two-dimensional model capturing the coupled processes of grain boundary (GB) migration and solute diffusion. Kinetic Monte Carlo simulations based on this model reproduce the fully stabilized polycrystalline state and link it to the condition of zero GB free energy. The simulations demonstrate the emergence of a fully stabilized state by the divergence of capillary wave amplitudes on planar GBs and by the fragmentation of a large grain into a stable ensemble of smaller grains. The role of solute diffusion in full stabilization is examined. Possible extensions of the model are discussed. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Modeling and Simulation, Nanotechnology |