Multi-principal element alloys (MPEAs) are a type of alloy composed of multiple principal elements in near-equiatomic proportions. MPEAs are important because their complex chemistries and high configurational entropy offer enhance mechanical strength, corrosion resistance, and thermal stability, making them highly suitable for applications in extreme environments, such as aerospace and nuclear industries. This study provides a detailed examination of the Al \(_{0.3}\) CoCrFeNi MPEA. Material properties, including basic structural parameters, generalized stacking fault energy (GSFE), and local slip resistance (LSR), are calculated using atomistic simulations. Pure Ni is also studied as a reference. Results reveal that the temperature dependence of the basic structural parameters in the MPEA differs from that in Ni. Additionally, the MPEA is shown to have a lower GSFE but a higher LSR than Ni. It is also observed that the LSR for the edge and screw dislocation in the MPEA is 841.73 MPa and 648.24 MPa, respectively, which is quite different from Ni, where the values are 8.5 MPa for edge dislocation and 58 MPa for screw dislocations. Furthermore, two edge dislocation insertion methods yield the same post-energy minimization dislocation structure in Ni, but not in the MPEA. Together, these findings expand our understanding of dislocation-related properties in MPEAs and emphasize the significance of appropriate atomistic model design.
