Molecular dynamics simulations of tensile response for FeNiCrCoCu high- entropy alloy with voids

TH Gao and H Song and B Wang and Y Gao and YT Liu and Q Xie and Q Chen and QQ Xiao and YC Liang, INTERNATIONAL JOURNAL OF MECHANICAL SCIENCES, 237, 107800 (2023).

DOI: 10.1016/j.ijmecsci.2022.107800

While preparing and using high entropy alloys (HEAs), many defects such as voids are inevitably formed. The effects of voids on the mechanical properties of FeNiCrCoCu HEAs are investigated using molecular dynamics simulations. The evolution of voids is examined by using models with one or two voids considering different void sizes, applied strain rates, and temperatures. The results demonstrate that the existence of the voids does influence the mechanical properties of HEAs. The tensile strength of the single-void model is higher than that of double-void model. The stress-strain curves demonstrate that a larger initial void size could reduce the tensile strength. During the tensile deformation, all dislocation emission occurs initially from the surface of the void. However, it occurs between the two voids in double-void models, which causes the deformation of the voids. With temperature increases, the tensile strength decreases. Under various strain rates, the tensile strength slightly rises at strain rates ranging from 10(8)to 10(9) s(-1). However, it significantly increases at a strain rate of 10(9 )to 10(10) s(-1).

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