About this Abstract |
Meeting |
2022 TMS Annual Meeting & Exhibition
|
Symposium
|
Computational Thermodynamics and Kinetics
|
Presentation Title |
NOW ON-DEMAND ONLY - CALPHAD-guided Grain Boundary Phase Diagrams and Opening Possibilities for Grain Boundary Engineering |
Author(s) |
Reza Darvishi Kamachali, Lei Wang, Anna Manzoni, Birgit Skrotzki, Gregory B. Thompson |
On-Site Speaker (Planned) |
Reza Darvishi Kamachali |
Abstract Scope |
Engineering grain boundaries requires a quantitative description of both their segregation and specific solubility behavior. This is only possible when a full thermodynamic description of the grain boundaries is given. Recently we have proposed a density-based model for grain boundary thermodynamics that enables CALPHAD-guided derivation of grain boundary phase diagrams and related full-field simulations for multi-component alloys. Combining this model with experimental investigations, in this talk, we present new aspects of interfacial segregation and phase transformation revealed in polycrystalline alloys. Solute segregation and consequent precipitation in Al-Cu-Mg and Al-Cu-Li alloys will be discussed. We investigate the effects of elastic interactions on the segregation and phase stability at grain boundaries and demonstrate the application of the model to nanocrystalline alloys, with numerous grain boundaries of various characters. A general strategy for grain boundary engineering will be presented. |
Proceedings Inclusion? |
Planned: |
Keywords |
Computational Materials Science & Engineering, ICME, Aluminum |