High entropy alloys (HEAs) have received attraction due to their advantage of strength, hardness, fatigue, anticorrosion, and thermal stability. This article examines the impacts of mold shape, composition, and vibration-assisted on the nanoimprinting process of FeNiCrCoMn HEAs by using molecular dynamics simulation. Changing the shape of the mold could improve the imprinting process. The results reveal that increasing the mold angle results in a higher atomic strain rate and a more robust structure transformation of the imprinted shape. In general, a mold with a corner radius performs better than one with a sharp corner in terms of deformation. In detail, as the deformation process becomes smoother as the corner radius increases, the atomic strain, maximum force, and residual stress decrease. The elastic rate tends to increase as the corner radius increases. The FeNiCrCoMn composition has a significant impact on the imprinting process. The 20%Fe substrate has the lowest highest rate of elastic deformation and lowest rates of residual stress, and structural change when compared to other compositions having 30–60% Fe. This composition has a high resistance to deformation than other compositions. Generally, vibration-assisted imprinting may result in a better imprinted shape. Increasing the vibration amplitude results in a larger imprinted shape height, strain, stress, force, and amorphous structure due to the greater plastic deformation. This study sheds more light on the benefits of suitable mold angle, mold fillet radius, alloys composition, and vibration-assisted in the imprinting process.
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