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多壁碳纳米管的力学特性:数值模拟研究

Mechanical Characterization of Multiwalled Carbon Nanotubes: Numerical Simulation Study.

作者信息

Sakharova Nataliya A, Pereira André F G, Antunes Jorge M, Fernandes José V

机构信息

Centre for Mechanical Engineering, Materials and Processes (CEMMPRE), DeptMech Engn, Univ Coimbra, Rua Luís Reis Santos, Pinhal de Marrocos, 3030-788 Coimbra, Portugal.

Escola Superior de Tecnologia de Abrantes, Instituto Politécnico de Tomar, Rua 17 de Agosto de 1808, 2200-370 Abrantes, Portugal.

出版信息

Materials (Basel). 2020 Sep 25;13(19):4283. doi: 10.3390/ma13194283.

Abstract

The elastic properties of armchair and zigzag multiwalled carbon nanotubes were investigated under tensile, bending, and torsion loading conditions. A simplified finite element model of the multiwalled carbon nanotubes, without taking into account the van der Waals interactions between layers, was used to assess their tensile, bending, and torsional rigidities and, subsequently, Young's and shear moduli. Relationships between the tensile rigidity and the squares of the diameters of the outer and inner layers in multiwalled carbon nanotubes, and between the bending and torsional rigidities with the fourth powers of the diameters of the outer and inner layers, were established. These relationships result in two consistent methods, one for assessment to the Young's modulus of armchair and zigzag multiwalled carbon nanotubes, based on tensile and bending rigidities, and the other to evaluate shear modulus using tensile, bending, and torsional rigidities. This study provides a benchmark regarding the determination of the mechanical properties of nonchiral multiwalled carbon nanotubes by nanoscale continuum modeling approach.

摘要

研究了扶手椅型和锯齿型多壁碳纳米管在拉伸、弯曲和扭转载荷条件下的弹性性能。使用了一个简化的多壁碳纳米管有限元模型,该模型未考虑层间的范德华相互作用,用于评估其拉伸、弯曲和扭转刚度,进而评估杨氏模量和剪切模量。建立了多壁碳纳米管的拉伸刚度与外层和内层直径平方之间的关系,以及弯曲和扭转刚度与外层和内层直径四次方之间的关系。这些关系产生了两种一致的方法,一种基于拉伸和弯曲刚度来评估扶手椅型和锯齿型多壁碳纳米管的杨氏模量,另一种使用拉伸、弯曲和扭转刚度来评估剪切模量。本研究为通过纳米尺度连续介质建模方法确定非手性多壁碳纳米管的力学性能提供了一个基准。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0196/7579541/5a6d19d6686e/materials-13-04283-g009.jpg

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