About this Abstract |
| Meeting |
2026 TMS Annual Meeting & Exhibition
|
| Symposium
|
Hume-Rothery Symposium: Interface Structure and Properties: Impact on Microstructure Evolution
|
| Presentation Title |
Thermodynamics of defect phases and fully stabilized polycrystalline materials |
| Author(s) |
Omar Hussein, Ju Li, Yuri Mishin |
| On-Site Speaker (Planned) |
Yuri Mishin |
| Abstract Scope |
Extended defects in crystalline materials are usually metastable and disappear in the thermodynamic ground state. We discuss the intriguing question: Can extended defects remain in the ground state? We treat all extended defects as low-dimensional phases on the same footing as the conventional bulk phases. Thermodynamic analysis shows that, in the ground state,
the formation free energies of all extended defects must be zero, and the system must follow a generalized phase rule. Guided by the phase rule, we discuss polycrystalline or polyphase microstructures that are fully immune to coarsening. Theoretical predictions are compared with kinetic Monte Carlo simulations within a discrete model of a multicomponent polycrystalline solution. The simulations demonstrate the emergence of a fully stabilized polycrystalline state composed of isolated grains embedded in a larger matrix grain. The simulations agree with the predicted phase rule and demonstrate that the concept of coarsening-immune polycrystals is consistent with classical thermodynamics. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Computational Materials Science & Engineering, Modeling and Simulation, Other |