Mechanical Properties of Cold‐Welded CoCrFeCuNi Nanowires with Side‐by‐Side Contact: A Molecular Dynamics Study

Jianfei Xu, Xiuming Liu, Yuhang Zhang, Yiqun Hu, R. Xia
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Abstract

Cold welding at the nanoscale is a promising technique for bottom‐up fabrication and assembly of nanostructured materials. Herein, the cold welding process of the CoCrFeCuNi high‐entropy‐alloy (HEA) nanowires in the form of side‐by‐side contact using molecular dynamics simulation is inestigated. The effects of overlap length, crystal orientation, and temperature are taken into consideration. The results demonstrate that strength is positively correlated with the overlap length. Fracture strain first increases up to a maximum and then decreases with the increase in overlap length. When the temperature increases from 300 to 900 K, the ultimate stress of the welded nanowires decreases from 1.18 to 0.87 GPa, and the welding stress decreases from −0.54 to −0.26 GPa. The crystal orientation significantly influences the deformation mechanism. For samples welded by nanowires with the same crystal orientation, the primary deformation mechanisms are twinning and dislocation slip. However, for samples welded by nanowires with different crystal orientations, the deformation is primarily mediated by the grain boundary slip. The research can enhance the understanding of the cold welding behavior for low‐dimensional materials and is hopeful to provide some valuable guidance for the bottom‐up fabrication and assembly of HEA nanocomponents.
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具有相邻接触的CoCrFeCuNi纳米线的力学性能:分子动力学研究
纳米级冷焊是一种很有前途的自下而上的纳米结构材料制造和组装技术。本文采用分子动力学模拟的方法,研究了CoCrFeCuNi高熵合金(HEA)纳米线以并排接触形式的冷焊过程。考虑了重叠长度、晶体取向和温度的影响。结果表明,强度与重叠长度呈正相关。随着重叠长度的增加,断裂应变先增大到最大值后减小。当温度从300 K升高到900 K时,焊接纳米线的极限应力从1.18 GPa降低到0.87 GPa,焊接应力从- 0.54 GPa降低到- 0.26 GPa。晶体取向对变形机制有显著影响。对于晶向相同的纳米线焊接试样,主要的变形机制是孪晶和位错滑移。然而,对于不同晶向的纳米线焊接试样,变形主要由晶界滑移介导。该研究可以提高对低维材料冷焊行为的认识,并有望为HEA纳米元件的自下而上制造和组装提供有价值的指导。
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