Triple junction solute segregation in Al-based polycrystals

This study focuses on the impact of grain triple junctions on the bulk thermodynamics of nanomaterials, particularly in Al-based polycrystals where the volume fraction of these junctions is high. The investigation evaluates the energetics of solute segregation at both grain boundaries and triple junctions, and identifies systems where junction segregation is preferred over grain boundaries. The study generates a comprehensive database of segregation spectra for 39 solute elements in Al, which reveals important chemical trends that can aid in alloy designs. Furthermore, the framework employed in this study is adaptable to other alloy systems.