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Mechanical properties of Au nanowires under uniaxial tension with high strain-rate by molecular dynamics

机译：金纳米线在单轴拉伸下的高应变速率力学性能的分子动力学

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摘要

The deformation behaviour of Au nanowires subjected to uniaxial tension at high strain-rate under different temperatures is studied by molecular dynamics simulation along [001], [011], and [111] elongation directions, respectively. The stress distributions and the radial distribution functions of the structure of the nanowires are evaluated and discussed. It is seen that the stress-strain curves are quite different from those of the bulk material. Moreover, the microstructures of nanowires are transformed first from FCC to face-centred-orthorhombic-like crystalline, and then changed to the amorphous state. The first neighbouring distance in the radial distribution functions along the [001] direction is clearly split into two peaks. It appears that the ductility of the nanowires at high strain-rate is higher than the corresponding macroscopic cases. The magnitudes of Young's modulus and the maximum strength along different crystalline directions are evaluated and compared with each other. They tend to decrease as the temperature increases. It may be predicted from our simulations that the conductance at high strain-rate deformation may be a continuous function of elongation due to the smooth reduction of area.
机译：通过沿[001]，[011]和[111]伸长方向的分子动力学模拟，研究了在不同温度下高应变速率下单轴拉伸的金纳米线的变形行为。评估和讨论了纳米线结构的应力分布和径向分布函数。可以看出，应力-应变曲线与散装材料的应力-应变曲线完全不同。此外，纳米线的微观结构首先从FCC转变为面心形斜方晶体，然后转变为非晶态。沿[001]方向的径向分布函数中的第一个相邻距离显然分为两个峰。似乎在高应变率下纳米线的延展性高于相应的宏观情况。评估并比较了沿不同结晶方向的杨氏模量和最大强度。随着温度的升高，它们倾向于降低。从我们的模拟可以预测，由于面积的平滑减小，在高应变率变形下的电导可能是延伸的连续函数。

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