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Effect of the Length on the Tensile Deformation of Nickel Nanowires Using Molecular Dynamics Simulations

机译:用分子动力学模拟对镍纳米线拉伸变形的影响

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摘要

In the recent years, with the fast advancement in the fields associated with nanoscience and nanotechnology, metal nanowires, in specific have received enormous attention among researchers due to their fascinating properties and applications. In this study, the Young Modulus and failurebehavior of Nickel (Ni) nanowires 7.04 nm in diameter with eight (8) different lengths (17.60, 21.12, 24.64, 28.16, 31.68, 35.20, 52.80 and 70.40 nm) were successfully modeled for uniaxial tensile tests using Molecular Dynamic (MD) simulations. MD simulations were performed at a fixed pointof the temperature of 300 K and a constant strain rate of 0.0001 ps?1. The finding showed that these Ni nanowires have a Young Modulus between 140.02 to 142.5 GPa. We strongly believe that the variation of the length model has no significant influence on neither the YoungModulus nor the failure behavior. All the investigated nanowires demonstrated ductile failure behavior type, in which represents a typical behavior of Ni at bulk scales.
机译:近年来,随着纳米科技和纳米技术相关的田地的快速进步,在特定于研究人员中获得了巨大的注意,由于它们的迷人性能和应用。在本研究中,镍(Ni)纳米线的幼年模量和衰竭直径为8(8)个不同长度(17.60,21.12,20.64,28.16,31.68,35.20,52.80和70.40nm),用于单轴拉伸使用分子动态(MD)模拟测试。 MD模拟以300k的温度和0.0001 ps 1 的恒定应变速率进行。该发现表明,这些Ni纳米线在140.02至142.5GPa之间的杨氏模量。我们强烈认为,长度模型的变化对年轻模范和故障行为没有显着影响。所有研究的纳米线都显示出延性失效行为类型,其中表示Ni在散装尺度上的典型行为。

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