发表机构
Nanjing University of Information Science and Technology（南京信息工程大学）
机构由 AI 辅助整理，请以论文原文为准。AI 中文总结
本研究通过分子动力学模拟探究CoCrNi中熵合金纳米线的力学性能，揭示其各向异性及原子力与力学性能的线性关联，为合金纳米线设计提供指导。
AI 中文摘要
本工作研究了面心立方（FCC）结构的CoCrNi中熵合金（MEA）单晶纳米线沿[100]、[110]和[111]三个晶向在单轴拉伸载荷下的力学性能，发现其表现出强烈的各向异性。采用分子动力学模拟从原子层面揭示塑性变形机制，表面效应导致位错从自由表面发射并向内部滑移，同时还考虑了温度效应。在相同几何构型、晶向和温度下，原子间相互作用主导杨氏模量和屈服强度等关键力学性能。结果显示，8种代表性FCC金属纳米线（Al、Au、Ag、Cu、Ni、Al19Mg合金、FeCoCrCuNi高熵合金及CoCrNi MEA）的平均原子力与力学性能之间存在显著线性关联。本研究为金属纳米线的力学行为提供了新见解，为合金纳米线的合理设计提供了指导。
英文摘要
This work investigated the mechanical properties of CoCrNi medium-entropy alloy (MEA) nanowires under uniaxial tensile loading along three crystallographic orientations [100], [110] and [111]. The face-centered cubic (FCC) single-crystal CoCrNi nanowires exhibit pronounced anisotropy Molecular dynamics simulations were employed to provide atomic-level insights into the plastic deformation mechanism. The surface effect causes dislocations to nucleate at the free surface and slip inward. The temperature effect was also considered. Under identical geometric configurations, crystal orientations, and temperatures, interatomic interactions govern key mechanical properties such as Young's modulus and yield strength. Simulation results reveal a strong linear correlation between the average atomic force and mechanical performance across eight representative FCC metallic nanowires (Al, Au, Ag, Cu, Ni, Al19Mg alloy, FeCoCrCuNi high-entropy alloy (HEA), and CoCrNi MEA). This study delivers novel insights into the mechanical behavior of metallic nanowires and offers guidance for the rational design of alloy nanowires.
