Abstract Scope |
Systematic microstructure design requires reliable thermodynamic descriptions and phase diagrams of each and all microstructure elements. While such descriptions are well established for most bulk phases, thermodynamic assessment of crystal defects is greatly challenged by their individualistic aspects. In this talk, we present a density-based thermodynamic concept [1] to describe defects based on available bulk thermodynamic data. Here dealing with grain boundaries (GBs), we apply this concept to compute GB (phase) diagram [2]. Applications to segregation engineering of GBs in bulk and nanocrystalline alloys will be presented. We further develop this model to include the effect of elastic interactions due to atom size mismatch and obtain the corresponding GB (phase) diagram for the ternary Al-Cu-Li system.
References :
[1] Darvishi Kamachali, R. A Model for Grain Boundary Thermodynamics. RSC Adv., 2020, 10, 26728-26741.
[2] Wang, L., Darvishi Kamachali, R. Simple Density-based Phase Diagrams for General Grain Boundaries; Submitted. |