高熵合金, 分子动力学模拟, 极限强度, 塑性

In the design of high-entropy alloys, the correlation between the nano-layered structure and its mechanical properties is a crucial consideration factor. A deep understanding of this relationship can help optimize alloy performance to meet the needs of specific application scenarios. In this study, we investigated the mechanical properties of Al_xCoCuFeNi high-entropy alloys with different nano-layered structures and constructed a high entropy alloy nano-layered structure with alternating high aluminum (H_Al) and low aluminum (L_Al) concentration layers. We conducted a detailed study on the mechanical properties of this structure using molecular dynamics simulations. The research results reveal that the key factor affecting material strength and entering the plastic zone in Al_xCoCuFeNi high-entropy alloys is the aluminum content in the H_Al layer. And with the same aluminum content in the HAl layer, as the aluminum content in the L_Al layer increases, the length of the plastic strain plateau shows a trend of shortening and entering the failure zone earlier. Meanwhile, we also investigated the influencing factors of the slope of the stress plateau in the plastic zone and the reasons for the occurrence of stress plateau in the plastic zone. The results indicate that the interlayer phenomenon of dislocations is an important factor affecting the positive and negative slope of the stress plateau in the plastic zone, and the generation of the stress plateau is mainly influenced by the difference in aluminum concentration between the layers of the alloy. This work can provide guidance for the design of nano-layered high-entropy alloys.