Atomistic understanding towards twin boundary on the effect of crack propagation in FeNiCrCoCu high-entropy alloy and Ni. (March 2023)

• Record Type: Journal Article
• Authors: Zhang, Zhan; Gao, Tinghong; Li, Lianxin; Gao, Yue; Liu, Yutao; Chen, Qian; Xie, Quan; Xiao, Qingquan
• Is Part Of: Materials today communications. Volume 34(2023)
• Publication Date: 2023-03
• Subjects: Molecular dynamics -- High-entropy alloys -- Twin boundary -- Crack propagation; Materials science -- Periodicals; 620.11
• DOI: 10.1016/j.mtcomm.2023.105414
• Languages: English
• ISSNs: 2352-4928

Abstract

Abstract: High-entropy alloys (HEAs) break through the traditional alloy composition frame and present unique and superior 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. Graphical Abstract: ga1