Molecular dynamics (MD) simulations are carried out to study the buckling of pure gold nanowires (GNWs) and hybrid GNWs@single-walled carbon nanotubes (SWCNTs). The effects of geometrical parameters and endohedral filling of SWCNTs on the critical buckling force are taken into consideration. Two different types of GNWs, namely multi-shell and pentagonal GNWs, with various structures are considered. The results illustrate that the buckling force of the pure GNWs is less than those of the pure SWCNTs and hybrid structures. Also, GNWs possess higher buckling forces by increasing their cross-section area. It is observed that enclosing the GNWs by SWCNTs improves the mechanical behaviors of both CNTs and GNWs. In hybrid multi-shell GNWs@SWCNTs, by increasing the radius, the effect of encapsulation on the buckling force is more remarkable. It can be seen that the encapsulation of pentagonal GNWs has a slightly more effect on the buckling behavior than the encapsulation of multi-shell GNWs. Moreover, it is found out that by increasing the length, the buckling force decreases.

中文翻译：

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充满金纳米线的单壁碳纳米管的屈曲行为的分子动力学研究。

进行了分子动力学（MD）模拟，以研究纯金纳米线（GNW）和混合GNWs @单壁碳纳米管（SWCNT）的屈曲。考虑了碳纳米管的几何参数和面内填充对临界屈曲力的影响。考虑了两种不同类型的GNW，即具有各种结构的多壳GNW和五边形GNW。结果表明，纯GNW的屈曲力小于纯SWCNT和混合结构的屈曲力。而且，GNW通过增加横截面面积而具有更高的屈曲力。观察到，SWCNT包围GNW可以改善CNT和GNW的机械性能。在混合多壳GNWs @ SWCNT中，通过增加半径，封装对屈曲力的影响更加明显。可以看出，与多壳GNW的封装相比，五边形GNW的封装对屈曲行为的影响略大。此外，发现通过增加长度，屈曲力减小。