fig7

Figure 7. CALPHAD and DFT design TC alloys. (A) CALPHAD method alloy design procedure; (B) CALPHAD-predicted TC of Mg–Al–La alloys; (C) TC of alloys with varying second-phase contents at room temperature. (B and C) adapted from Ref.^[78]. Copyright 2024, University of Science and Technology Beijing; (D) DFT method alloy design procedure; (E) Comparisons of calculated vs. experimental total TCs of Al, Mg, Zn with temperature. Adapted from Ref.^[79]. Copyright 2021, Chinese Academy of Sciences; (F) The minimum TCs of pure Mg₁₇Al₁₂ and M-doped (M = Ga, In, Ge, Sn, Pb) Mg₁₇Al₁₂ compounds along the [100], [110], and [111] directions. Adapted from Ref.^[80]. Copyright 2022, John Wiley and Sons. CALPHAD: CALculation of PHAse Diagrams; DFT: density functional theory; TC: thermal conductivity; RTD: reciprocal of thermal diffusivity.