fig6

Figure 6. CALPHAD- and DFT-assisted design of strengthened alloys. (A) Solidification paths of the Al-Mg-Si-Ti alloy calculated using the Scheil-Gulliver model; (B) Mechanical properties of AA6061 and Al-Mg-Si-Ti alloys. (A and B) adapted from Ref.^[63]. Copyright 2024, Taylor and Francis Ltd; (C) 3 × 3 × 6 Mg supercell model, twin boundary model, and free-surface model; (D) Calculation results for Mg twin boundaries doped with common alloying elements. (C and D) adapted from Ref.^[67]. Copyright 2025, Nonferrous Metals Society of China. CALPHAD: CALculation of PHAse Diagrams; DFT: density functional theory; YS: yield strength; UTS: ultimate tensile strength; EL: elongation.