Predicting a stretching behavior of carbon nanotubes using finite element method

E. Mohammadpour, M. Awang
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引用次数: 2

Abstract

This paper describes a finite element method that is appropriate for the numerical prediction of the nonlinear mechanical behavior of different types of isolated single walled carbon nanotubes. A finite element progressive fracture model based on the modified Morse interatomic potential is used to evaluate mechanical properties of carbon nanotubes, such as axial and radial Young's modulus, shear modulus, natural frequency and buckling load are presented to illustrate the accuracy of this simulation technique. The novelty of the model lies on the use of beam element with non-linear capability, i.e, BEAM188, to evaluate SWNTs mechanical properties. In the present modeling work, individual carbon nanotube is simulated as a frame-like structure and the primary bonds between two nearest-neighboring atoms are treated as 3D beam elements. The beam element nonlinear properties are determined via the concept of energy equivalence between molecular dynamics and structural mechanics using Modified Morse potential. The calculated mechanical properties show good agreement with existing other work and experimental results as shown in Table I.
用有限元法预测碳纳米管的拉伸行为
本文介绍了一种适用于不同类型隔离单壁碳纳米管非线性力学行为数值预测的有限元方法。采用基于修正莫尔斯原子间势的渐进断裂有限元模型,对碳纳米管的轴向和径向杨氏模量、剪切模量、固有频率和屈曲载荷等力学性能进行了数值模拟,验证了该模拟技术的准确性。该模型的新颖之处在于使用具有非线性能力的梁单元BEAM188来评估单壁碳纳米管的力学性能。在目前的建模工作中,单个碳纳米管被模拟为一个框架结构,两个最近相邻原子之间的初级键被视为三维光束单元。利用修正莫尔斯势,利用分子动力学和结构力学之间的能量等效概念确定了梁单元的非线性性质。计算得到的力学性能与已有的其他工作和实验结果吻合良好,如表1所示。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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