Deposition characteristics of CoCrFeMnNi high-entropy alloys thin film via simulation

Abstract

HEAs are composed of five or more principal elements, each of which contributes 5–35 atomic percent. Here, we investigate the CoCrFeMnNi high-entropy alloys (HEAs) thin film deposited on Ni substrate via molecular dynamics simulation. The incident atoms deposit with different incident velocity levels and compositions on different surface crystalline orientations. The surface morphology, layer coverage, structure state, lattice distortion, stress, potential, and entropy distributions of the HEAs sample are analyzed. The results reveal that the higher incident velocity results in a higher stress level and a broader high-potential zone. From 50 m/s to 200 m/s, the crystalline structure ratio improves when the incident velocity increases due to a greater penetration rate. However, improving the incident velocity from 200 m/s to 400 m/s results in a decrease in crystalline structure ratio as the excess kinetic energy causes structural damage. Because of the increase in planar density, the layer coverage value decreases gradually from orientation (001) to (110) and finally (111). From the thin film surface, potential and entropy are distributed in a gradient pattern. The potential value increases from the interface to the HEAs thin film's outer surface. While the local entropy level decreases rapidly from the top to the bottom layer. The incident atoms create a high-stress and lattice distortion in the substrate matrix. Moreover, increasing Fe content from 20 % to 60 % declines the HEAs potential rate, the FCC structure ratio, and the penetration rate between the incident and substrate atoms.