Atomistic understanding towards twin boundary on the effect of crack propagation in FeNiCrCoCu high-entropy alloy and Ni

Z Zhang and TH Gao and LX Li and Y Gao and YT Liu and Q Chen and Q Xie and QQ Xiao, MATERIALS TODAY COMMUNICATIONS, 34, 105414 (2023).

DOI: 10.1016/j.mtcomm.2023.105414

High-entropy alloys (HEAs) break through the traditional alloy composition frame and present unique and su-perior mechanical properties. In this study, the molecular dynamics (MD) simulation was used to explore the crack propagation behavior under a uniaxial tensile stress of single-crystal FeNiCrCoCu HEA (sc-HEA), twinned FeNiCrCoCu HEA (tw-HEA) bicrystal and twinned Ni (tw-Ni) bicrystal. The results demonstrate that high-entropy and twin boundary (TB) can improve the tensile strength of the material. The cracks propagate differently in the three models, which was connected to the multi-element of high- entropy alloy and TB. The presence of a TB causes the crack morphology to offset compared with single-crystal. The velocity of cracks propagation increases with temperature; however, the cracks always quickly grow during the first tensile stage. The results of this study have significance for optimizing the interfacial design and manufacturing of high-quality HEAs.

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