A high Fe content easily produces Fe-rich phases with a harmful morphology, resulting in a huge detrimental effect on the properties and recycling ability of Al-Si alloys. Therefore, finding ways to effectively transform Fe-rich phases to form a beneficial phase or shape is of great significance. Accordingly, Al-Si-based alloys with Fe contents ranging from 0.1 wt.% to 2.0 wt.% were modified by different Mn additions. Moreover, experiments combined with simulations were utilized to comprehensively analyze the mechanism of Mn on the morphology and microstructural evolution of Fe-rich phases from different perspectives. The current findings determine that adding different Fe contents changes the phase-transition reactions in alloys. Without Mn, and by increasing the Fe content from 0.1 wt.% to 2.0 wt.%, the Fe-rich phases gradually convert from a skeleton-shaped α-Al₈Fe₂Si (<0.25 wt.%) to β-Al₉Fe₂Si₂ with a fibrous (0.5 wt.%), needle-like (1.0 wt.%) and plate-like shape without curvatures (2.0 wt.%). The maximum length and mean aspect ratio increase from 12.01 μm to 655.66 μm and from 1.96 to 84.05, while the mean curvature decreases from 8.66 × 10⁻² μm⁻¹ to 8.25 × 10⁻⁴ μm⁻¹. The addition of 0.35 wt.% Mn promotes a new Chinese-character and petal-shaped α-Al₁₅(FeMn)₃Si₂, with an atomic ratio of Fe and Mn of 1:1 when the Fe content is lower than 0.5 wt.%, while it transforms to β-Al₁₅(FeMn)₃Si₂ with an atomic ratio of 5:1, presenting as a refined plate-like shape with a certain curvature, as the Fe content increases to 2.0 wt.%. Mn alters the phase reactions and increases the threshold of the Fe content required for β-Al₁₅(FeMn)₃Si₂, limiting the formation and growth of them simultaneously in time and space. The enrichment of Mn atoms and solute diffusion at the growth front of β-Al₁₅(FeMn)₃Si₂, as well as the strong atomic-binding ability, can deflect the growth direction of β-Al₁₅(FeMn)₃Si₂ for it to have a certain curvature. Additionally, the enriched Mn atoms easily form α-Al₁₅(FeMn)₃Si₂ and cause the long β-Al₁₅(FeMn)₃Si₂ to be broken and refined to further reduce the damages caused to the alloy’s performance. Ultimately, the maximum length and mean aspect ratio can be effectively reduced to 46.2% and 42.0%, respectively, while the mean curvature can be noticeably increased by 3.27 times with the addition of Mn.

First-principles calculations were performed to investigate the elastic and thermodynamic properties for multi-component Co-based superalloy systems and explored the effect of alloying on stabilizing the γ′ phase. First, the comparisons were carried out for the γ′ phase in Co₃(Al,TM) (TM being transition metals) and Ni₃Al systems between the present computational results using the EMTO-CPA method and other available DFT calculations as well as experimental data. The lattice parameters, elastic constants, and Debye temperatures are consistent with experimental results and other calculations. The predicted thermodynamic properties, e.g., the Gibbs free energy, excess entropy, and linear thermal expansion coefficient, agree well with CALPHAD results, experimental results, and other available first-principles calculations. A combination of EMTO-CPA method and Debye–Grüneisen model is utilized in this work to ensure that the alloying effect on the stability of the γ′ phase in a multi-component Co-based system is captured efficiently. This could open the path for designing novel multi-component Co-based alloys based on first-principles calculation. To demonstrate this, predictions for the properties of multicomponent systems were undertaken. Our results show that Ni aids in the stabilization of the (CoNi)₃(Al, Mo, Nb) phase. Graphical Abstract

Understanding plastic deformation mechanisms in the γ matrix is essential for the development of next-generation Co-based superalloys. Since magnetic transitions in Co-based matrices can occur within service temperature ranges, stacking fault energies (SFEs) must be evaluated with explicit consideration of magnetic state effects. In this work, SFEs of pure Co and Co-rich alloys are calculated to quantify their compositional and temperature dependences in both ferromagnetic (FM) and paramagnetic (PM) states. The predicted values show good agreement with available experimental and theoretical data. For pure Co, the SFE increases with temperature in the FM state and decreases in the PM state; when the magnetic contribution is considered, the PM (Mag.) SFE exhibits the same trend as its FM counterpart. Co-rich alloys, by contrast, display a distinct temperature response, highlighting the dominant role of magnetic entropy in the PM state. Low SFEs predicted for Co-rich alloys at elevated temperatures favor deformation twinning, consistent with experimental observations. These results demonstrate that magnetic-state-dependent SFE calculations provide a robust framework for predicting plastic deformation modes and guiding the alloying design of Co-based alloys.