Simulation of the fracture behavior of single-walled carbon nanotubes with a single atom vacancy by the finite element method

Xu Zhang; Le Hua Qi; Yang Shu; Qian Gang Fu; He Jun Li

Simulation of the fracture behavior of single-walled carbon nanotubes with a single atom vacancy by the finite element method

Xu Zhang
, Le Hua Qi
, Yang Shu
, Qian Gang Fu
, He Jun Li

School of Materials Sience and Engineering

Northwestern Polytechnical University Xian

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

2 Scopus citations

Abstract

A finite element model of single-walled carbon nanotubes (SWCNTs) was established using ANSYS parametric design language, by which their fracture behavior was simulated on the platform of ANSYS using the criterion of the fracture of a carbon-carbon bond based on the Morse potential. The influence of a single atomic vacancy on the tensile strength and ultimate strain of SWCNTs was investigated. Results showed that the tensile strength and ultimate strain of perfect SWCNTs are about 120 GPa and 22%, respectively. Values for SWCNTs with the single vacancy are 20-30% and 12-18% less than those of the perfect ones. This is why the experimental tensile strengths of SWCNTs are far less than the theoretical predicted values. In addition, the tensile strengths of SWCNTs are anisotropic at large deformations, which agrees well with the simulation results obtained using molecular mechanics.

Original language	English
Pages (from-to)	646-650
Number of pages	5
Journal	Xinxing Tan Cailiao/New Carbon Materials
Volume	31
Issue number	6
State	Published - 1 Dec 2016

Keywords

Finite element method
Single-walled carbon nanotubes
Tensile strength
Ultimate strain.
Vacancy

Cite this

@article{3542f06821724b14a6ffe8a6a4f1db8b,

title = "Simulation of the fracture behavior of single-walled carbon nanotubes with a single atom vacancy by the finite element method",

abstract = "A finite element model of single-walled carbon nanotubes (SWCNTs) was established using ANSYS parametric design language, by which their fracture behavior was simulated on the platform of ANSYS using the criterion of the fracture of a carbon-carbon bond based on the Morse potential. The influence of a single atomic vacancy on the tensile strength and ultimate strain of SWCNTs was investigated. Results showed that the tensile strength and ultimate strain of perfect SWCNTs are about 120 GPa and 22\%, respectively. Values for SWCNTs with the single vacancy are 20-30\% and 12-18\% less than those of the perfect ones. This is why the experimental tensile strengths of SWCNTs are far less than the theoretical predicted values. In addition, the tensile strengths of SWCNTs are anisotropic at large deformations, which agrees well with the simulation results obtained using molecular mechanics.",

keywords = "Finite element method, Single-walled carbon nanotubes, Tensile strength, Ultimate strain., Vacancy",

author = "Xu Zhang and Qi, \{Le Hua\} and Yang Shu and Fu, \{Qian Gang\} and Li, \{He Jun\}",

year = "2016",

month = dec,

day = "1",

language = "英语",

volume = "31",

pages = "646--650",

journal = "Xinxing Tan Cailiao/New Carbon Materials",

issn = "2097-1605",

publisher = "Science Press ",

number = "6",

}

TY - JOUR

T1 - Simulation of the fracture behavior of single-walled carbon nanotubes with a single atom vacancy by the finite element method

AU - Zhang, Xu

AU - Qi, Le Hua

AU - Shu, Yang

AU - Fu, Qian Gang

AU - Li, He Jun

PY - 2016/12/1

Y1 - 2016/12/1

N2 - A finite element model of single-walled carbon nanotubes (SWCNTs) was established using ANSYS parametric design language, by which their fracture behavior was simulated on the platform of ANSYS using the criterion of the fracture of a carbon-carbon bond based on the Morse potential. The influence of a single atomic vacancy on the tensile strength and ultimate strain of SWCNTs was investigated. Results showed that the tensile strength and ultimate strain of perfect SWCNTs are about 120 GPa and 22%, respectively. Values for SWCNTs with the single vacancy are 20-30% and 12-18% less than those of the perfect ones. This is why the experimental tensile strengths of SWCNTs are far less than the theoretical predicted values. In addition, the tensile strengths of SWCNTs are anisotropic at large deformations, which agrees well with the simulation results obtained using molecular mechanics.

AB - A finite element model of single-walled carbon nanotubes (SWCNTs) was established using ANSYS parametric design language, by which their fracture behavior was simulated on the platform of ANSYS using the criterion of the fracture of a carbon-carbon bond based on the Morse potential. The influence of a single atomic vacancy on the tensile strength and ultimate strain of SWCNTs was investigated. Results showed that the tensile strength and ultimate strain of perfect SWCNTs are about 120 GPa and 22%, respectively. Values for SWCNTs with the single vacancy are 20-30% and 12-18% less than those of the perfect ones. This is why the experimental tensile strengths of SWCNTs are far less than the theoretical predicted values. In addition, the tensile strengths of SWCNTs are anisotropic at large deformations, which agrees well with the simulation results obtained using molecular mechanics.

KW - Finite element method

KW - Single-walled carbon nanotubes

KW - Tensile strength

KW - Ultimate strain.

KW - Vacancy

UR - https://www.scopus.com/pages/publications/85009935419

M3 - 文章

AN - SCOPUS:85009935419

SN - 2097-1605

VL - 31

SP - 646

EP - 650

JO - Xinxing Tan Cailiao/New Carbon Materials

JF - Xinxing Tan Cailiao/New Carbon Materials

IS - 6

ER -

Simulation of the fracture behavior of single-walled carbon nanotubes with a single atom vacancy by the finite element method

Abstract

Keywords

Other files and links

Fingerprint

Cite this