Prediction of the mechanical behavior of double walled-CNTs using a molecular mechanics-based finite element method: Effects of chirality

被引：23

作者：

Doh, Jaehyeok ^{[1
]}

Lee, Jongsoo ^{[1
]}

机构：

[1] Yonsei Univ, Sch Mech Engn, Seoul 120749, South Korea

来源：

COMPUTERS & STRUCTURES | 2016年 / 169卷

基金：

新加坡国家研究基金会;

关键词：

Single-walled carbon nanotube; Double-walled carbon nanotube; Molecular mechanics-based finite element method; Morse potential energy; Chirality; CARBON NANOTUBES; GRADIENT; SIMULATION; DYNAMICS; FAILURE; TENSION;

D O I：

10.1016/j.compstruc.2016.03.006

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

Carbon nanotubes (CNTs) have distinct features in their remarkable mechanical, electrical, thermal, and chemical properties. However, material properties of CNTs can often not be validated due to experimental limitations. In this study, we developed finite element models of single-walled carbon nanotubes (SWCNTs) and double-walled carbon nanotubes (DWCNTs) based on molecular mechanics theory to evaluate mechanical properties such as Young's modulus, ultimate strength, and strain in accordance with chirality. We performed tensile analyses with armchair/zigzag SWCNTs and armchair-zigzag/zigzag-arm chair DWCNTs composed of nonlinear beam elements. We validated the proposed FE model of SWCNTs by comparing ultimate stress and strain with conventional approaches. (C) 2016 Published by Elsevier Ltd.

引用

页码：91 / 100

页数：10

共 35 条

[1] ON THE ROLE OF GRADIENTS IN THE LOCALIZATION OF DEFORMATION AND FRACTURE [J].