Effect of Al solute concentration on mechanical properties of AlxFeCuCrNi high-entropy alloys: A first-principles study

The elastic and plastic properties, generalized stacking-fault energy, surface energy, and electronic properties of AlxFeCuCrNi high-entropy alloys are studied via first-principle calculations. The present work is performed by employing density-functional theory within the general gradient approximation and virtual crystal approximation model. The increasing Al concentration enhances Young's modulus, bulk modulus and shear modulus, but it...