Using a hybrid molecular dynamics/Monte Carlo approach, we simulated segregation behavior at finite temperatures, identifying grain boundary structural transitions, particularly the varied fraction and morphology of topologically close-packed grain boundary phases. The outcomes of this collaboration with colleagues from the RWTH Aachen and TU Bergakademie Freiberg, offer crucial insights into basal-textured grain boundary segregation and phase formation. The manuscript is now available: Ganguly et al., Grain boundary segregation spectrum in basal-textured Mg alloys: From solute decoration to structural transition, Acta Materialia 283 (2025) 120556 [open access].
