Open Access

ARTICLE

The Influence of Structural Defect on Mechanical Properties and Fracture Behaviors of Carbon Nanotubes

by Hsien-Chie Cheng¹, Yu-Chen Hsu², Wen-Hwa Chen²

1 Department of Aerospace and Systems Engineering, Feng Chia University, Taichung, Taiwan.
2 Department of Power Mechanical Engineering, National Tsing Hua University, Hsinchu, Taiwan.

Computers, Materials & Continua 2009, 11(2), 127-146. https://doi.org/10.3970/cmc.2009.011.127

Abstract

Due to the limitation of fabrication technologies nowadays, structural or atomistic defects are often perceived in carbon nanotubes (CNTs) during the manufacturing process. The main goal of the study aims at providing a systematic investigation of the effects of atomistic defects on the nanomechanical properties and fracture behaviors of single-walled CNTs (SWCNTs) using molecular dynamics (MD) simulation. Furthermore, the correlation between local stress distribution and fracture evolution is studied. Key parameters and factors under investigation include the number, type (namely the vacancy and Stone-Wales defects), location and distribution of defects. Results show that the nanomechanical properties of the CNTs, such as the elastic modulus, ultimate strength and ultimate strain, are greatly affected by the defects and also their percentage and type. It is also found that the CNTs present a brittle fracture as the strain attains a critical value, and in addition, the fracture crack tends to propagate along the high tensile stress concentration area. Moreover, the distribution pattern of defects is another driving factor affecting the nanomechanical properties of the CNTs and the associated fracture evolutions.

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Keywords

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