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Nanomechanics on the Deformation of Single- and Multi-walled Carbon Nanotubes Under External Radial Pressure

机译:径向压力下单壁和多壁碳纳米管变形的纳米力学

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In this paper, the deformation of single- and multi-walled carbon nanotubes under external radial pressure has been studied by using an analytical molecular structural mechanics model. The elastic in-plane properties (in-plane stiffness in the hoop direction, Y_θ) and Poisson's ratio (v_θz) of single-walled carbon nanotubes (SWCNTs) has been derived and shown to be equal to the axial direction in-plane properties (Y_z,v_2θ) for all tube diameters. In-plane properties are sensitive to tubediameter at small diameter ranges and insensitive to tube size at large diameters. Using the obtained hoop stiffness, the radial deformation of SWCNTs under radial pressure is formulated. The effect of van der Waals forces between layers in multi-walled carbon nanotubes (MWCNTs) has been incorporated within the analytical molecular structural mechanics model to analyze the radial deformation of MWCNTs. Closed form solution for the radial deformation of MWCNTs is obtained by using the universal graphite potential function for the interlayer van der Waals interactions. Load transfer between layers is considered. The behavior of MWCNTs under large radial deformation has also been studied by incorporating nonlinear van der Waals interactions. The present theoretical investigation provides a very simple approach to predict the mechanical properties of carbon nanotubes.
机译:本文利用解析分子结构力学模型研究了单壁和多壁碳纳米管在外部径向压力下的变形。推导了单壁碳纳米管(SWCNT)的弹性面内特性(环向面内的刚度,Y_θ)和泊松比(v_θz),并证明它们等于轴向面内特性( Y_z,v_2θ)对于所有管直径。平面内特性在小直径范围内对管径敏感,而在大直径下对管径不敏感。使用获得的环刚度,可以确定SWCNT在径向压力下的径向变形。多壁碳纳米管(MWCNT)的层间范德华力的影响已纳入分子结构力学分析模型,以分析MWCNT的径向变形。通过将通用石墨势函数用于层间范德华相互作用,获得了MWCNTs径向变形的封闭形式解决方案。考虑层之间的负载转移。 MWCNTs在大的径向变形下的行为也已经通过纳入非线性范德华相互作用进行了研究。本理论研究提供了一种非常简单的方法来预测碳纳米管的机械性能。

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