Molecular dynamics simulation of the heterostructure of the CoCrFeMnNi high entropy alloy under an impact load

Abstract There have been numerous experimental studies conducted on the CoCrFeMnNi high entropy alloys (HEAs) at the macroscopic level. However, it is challenging to quantitatively analyze the shock behavior of the HEAs from a microscopic level through experiments. In this study, we construct single-crystal, twin-crystal, multilayer, hole, and two-phase structures of the CoCrFeMnNi HEAs using the molecular dynamics method. The effects of impact loading on the microscopic level are investigated for CoCrFeMnNi HEAs with different structures. By analyzing the evolution of their microstructure and the changes in physical parameters, the response laws and propagation characteristics of shock waves in various heterogeneous of CoCrFeMnNi HEAs are revealed at the atomic scale.