Influence of Alloying Elements on Mechanical Deformation of AlCoCrFeNi High-Entropy Alloy

In the present study, a set of molecular dynamics (MD) simulations are carried out to investigate the effect of individual alloying elements on the mechanical deformation of AlCoCrFeNi high entropy alloy (HEA). Different HEA system configurations were considered by varying the atomic fraction (at.%) of the individual alloying elements. The shear strain-shear stress responses are recorded during the mechanical deformation of the individual HEA system. In addition to that, the microstructural deformation evolution of the HEAs is also investigated under the shear loading. This study proposes a bottom-up design approach for the synthesis of high-entropy alloys based on the desired characteristics.