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Alloying is an effective method to refine coarse grains of an Al 13 Fe 4 phase and strengthen Al-Fe alloys. However, the grain refinement mechanism remains unclear in terms of the thermodynamics. Herein, the influence of M -element, i.e., Cr, Mn, Co and Ni, addition on the activity of Al and Fe atoms, Gibbs free energy of the Al 13 Fe 4 nucleus in Al-Fe melt and the formation enthalpy of an Al 13 Fe 4 phase in Al-Fe alloys is systematically investigated using the extended Miedema model, Wilson equation, and first-principle calculations, respectively. The results reveal that the addition of different M elements increases the activity of Fe atoms and reduces the Gibbs free energy of the Al 13 Fe 4 nucleus in Al-Fe melt, where the incorporation of Ni renders the most obvious effect, followed by Mn, Co, and Cr. Additionally, the formation enthalpy decreases in the following order: Al 78 (Fe 23 Cr) &gt; Al 78 (Fe 23 Mn) &gt; Al 13 Fe 4 &gt; Al 78 (Fe 23 Ni) &gt; Al 78 (Fe 23 Co), where the formation enthalpy of Al 78 (Fe 23 Ni) is close to Al 78 (Fe 23 Co). Moreover, the presence of Ni promotes the nucleation of the Al 13 Fe 4 phase in Al-Fe alloys, which reveals the mechanism of grain refinement from a thermodynamics viewpoint.

Influence of Cr, Mn, Co and Ni Addition on Crystallization Behavior of Al13Fe4 Phase in Al-5Fe Alloys Based on ThermoDynamic Calculations