Aspect ratio dependent buckling mode transition in single-walled carbon nanotubes under compression
Aspect ratio dependent buckling mode transition in single-walled carbon nanotubes under compression
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DOI：
10.1063/1.3569616
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发表时间：
2011-04-15
影响因子：
3.2
通讯作者：
Chen, Changfeng
中科院分区：
文献类型：
--
作者：
Feliciano, Jeremy;Tang, Chun;Chen, Changfeng
采用分子动力学模拟方法，研究了宽径比（长径比）范围内单壁碳纳米管的轴向压缩行为。结果表明，不同的纵横比导致不同的屈曲模式单壁碳纳米管。小纵横比的单壁碳纳米管主要表现出壳屈曲;随着纵横比的增加，它们切换到列屈曲模式。进一步压缩已经柱屈曲的大纵横比单壁碳纳米管导致壳屈曲。这种壳屈曲模式与小纵横比的单壁碳纳米管的壳屈曲模式不同，因为它起源于柱屈曲引起的弯曲变形。使用解析表达式预测了大长径比单壁碳纳米管从柱屈曲到壳屈曲的过渡应变。通过分析C-C键长和键角的变化，讨论了其机理。(C)2011年美国物理学会。[doi：10.1063/1.3569616]
Using molecular dynamics simulations, we study axial compressive behavior of single-walled carbon nanotubes (SWCNTs) with a wide range of aspect ratios (length to diameter ratio). It is shown that the difference in aspect ratio leads to distinct buckling modes in SWCNTs. Small-aspect-ratio SWCNTs primarily exhibit shell buckling; they switch to a column buckling mode with increasing aspect ratio. Further compression of the already column buckled large-aspect-ratio SWCNTs results in a shell buckling. This shell buckling mode is distinct from that of small-aspect-ratio SWCNTs in that it originates from the column buckling induced bending deformation. The transition strain from column buckling to shell buckling of large-aspect-ratio SWCNTs is predicted using an analytical expression. The underlying mechanism is discussed by analyzing the variation of C-C bond lengths and angles. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3569616]