Detailed atomistic insight into the β″ phase in Al–Mg–Si alloys (original) (raw)

The study presents theoretical insights into the β phase in Al–Mg–Si alloys, which significantly contribute to precipitation hardening. Using density functional theory (DFT) and atomistic modeling, it explores the interactions between precipitates and the aluminum matrix, providing a clear understanding of the strain fields and the importance of accurate electronic structure approximations in predicting material properties. These findings contribute to the design optimization of aluminum alloys for industrial applications.