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首页> 外文期刊>Journal of nanoparticle research: An interdisciplinary forum for nanoscale science and technology >Investigation on the effect of atomic defects on the breaking behaviors of gold nanowires
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Investigation on the effect of atomic defects on the breaking behaviors of gold nanowires

机译：原子缺陷对金纳米线断裂行为影响的研究

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摘要

The mechanical properties and breaking behaviors of the [100]-oriented single-crystal gold nanowires containing a set of defect ratios have been studied at different temperatures using molecular dynamics simulations. The size of the nanowire is 10a x 9 10a x 9 30a (a stands for lattice constant, 0.408 nm for gold). The mechanical strengths of the nanowires decrease with the increasing temperature. However, the defects that enhance the local thermal energy have improved the nanowire mechanical strength under a wide range of temperature. Comparing to the single-crystal nanowire, the existence of the atomic defects extends the elastic deformation showing a larger yield strain. By summarizing 300 samples at each temperature, the statistical breaking position distribution shows that the nanowire breaking behavior is sensitive to the atomic defects when the defect ratio is 5 % at 100 K, whereas the ratio is 1 % when temperatures are 300 and 500 K.
机译：使用分子动力学模拟研究了在不同温度下，含有一组缺陷率的[100]取向单晶金纳米线的力学性能和断裂行为。纳米线的尺寸为10a x 9 10a x 9 30a（a表示晶格常数，金表示0.408 nm）。纳米线的机械强度随着温度的升高而降低。然而，增强局部热能的缺陷在较大的温度范围内提高了纳米线的机械强度。与单晶纳米线相比，原子缺陷的存在扩展了弹性变形，从而显示出更大的屈服应变。通过在每个温度下汇总300个样品，统计断裂位置分布表明，当100 K下的缺陷率为5％时，纳米线的断裂行为对原子缺陷敏感，而当温度为300和500 K时，纳米线的断裂行为为1％。

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