Mechanical performance of FeCrCoMnAlx high-entropy alloys from first-principle

The elastic parameters and ideal tensile strength in the [001] direction for the body-centered cubic solid solution phase of FeCrCoMnAlx (0.6 ≤ x ≤ 1.5) high-entropy alloys are determined using first-principle alloy theory. Based on the estimated theoretical Curie temperatures, all alloys considered here are predicted to order ferromagnetically at room temperature. The mechanical behaviors are analyzed through the single-crystal and polycrystalline elastic moduli, Pugh ratio, and Debye temperature by making use of a series of phenomenological models. High ideal tensile strength is found for the equi-atomic FeCrCoMnAl system, and the intrinsic strength increases with decreasing Al content.