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

Jaehyeok Doh; Jongsoo Lee

doi:10.1016/j.compstruc.2016.03.006

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

Jaehyeok Doh, Jongsoo Lee

Department of Mechanical Engineering

Research output: Contribution to journal › Article › peer-review

15 Citations (Scopus)

Abstract

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-armchair DWCNTs composed of nonlinear beam elements. We validated the proposed FE model of SWCNTs by comparing ultimate stress and strain with conventional approaches.

Original language	English
Pages (from-to)	91-100
Number of pages	10
Journal	Computers and Structures
Volume	169
DOIs	https://doi.org/10.1016/j.compstruc.2016.03.006
Publication status	Published - 2016 Jun 1

Bibliographical note

Funding Information:
This research is supported by the Basic Science Research Program through the National Research Foundation of South Korea (NRF), funded by the Ministry of Education, Science and Technology ( 2014055282 ).

All Science Journal Classification (ASJC) codes

Civil and Structural Engineering
Modelling and Simulation
Materials Science(all)
Mechanical Engineering
Computer Science Applications

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abstract = "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-armchair DWCNTs composed of nonlinear beam elements. We validated the proposed FE model of SWCNTs by comparing ultimate stress and strain with conventional approaches.",

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