Tensile properties of graphene nanotube hybrid structures : a molecular dynamics study

Zhan, Haifei, Xia, Kang, & Gu, YuanTong (2013) Tensile properties of graphene nanotube hybrid structures : a molecular dynamics study. International Journal of Computational Materials Science and Engineering, 02(3n04), p. 1350020.

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Abstract

Graphene has been reported with record-breaking properties which have opened up huge potential applications. A considerable research has been devoted to manipulate or modify the properties of graphene to target a more smart nanoscale device. Graphene and carbon nanotube hybrid structure (GNHS) is one of the promising graphene derivates, while their mechanical properties have been rarely discussed in literature. Therefore, such a studied is conducted in this paper basing on the large-scale molecular dynamics simulation. The target GNHS is constructed by considering two separate graphene layers that being connected by single-wall carbon nanotubes (SWCNTs) according to the experimental observations. It is found that the GNHSs exhibit a much lower yield strength, Young’s modulus, and earlier yielding comparing with a bilayer graphene sheet. Fracture of studied GNHSs is found to fracture located at the connecting region between carbon nanotubes (CNTs) and graphene. After failure, monatomic chains are normally observed at the front of the failure region, and the two graphene layers at the failure region without connecting CNTs will adhere to each other, generating a bilayer graphene sheet scheme (with a layer distance about 3.4 Å). This study will enrich the current understanding of the mechanical performance of GNHS, which will guide the design of GNHS and shed lights on its various applications.

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ID Code: 67344
Item Type: Journal Article
Refereed: Yes
Keywords: graphene, nanotube, tension, Young's modulus, molecular dynamics simulation
DOI: 10.1142/S2047684113500206
ISSN: 2047-685X
Subjects: Australian and New Zealand Standard Research Classification > ENGINEERING (090000) > MATERIALS ENGINEERING (091200)
Australian and New Zealand Standard Research Classification > ENGINEERING (090000) > MECHANICAL ENGINEERING (091300)
Australian and New Zealand Standard Research Classification > TECHNOLOGY (100000) > NANOTECHNOLOGY (100700)
Divisions: Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > QUT Faculties and Divisions > Science & Engineering Faculty
Funding:
Copyright Owner: Copyright 2013 Imperial College Press
Copyright Statement: Electronic version of an article published as [International Journal of Computational Materials Science and Engineering, Volume 02, Issue 03n04, December 2013, 1350020] [10.1142/S2047684113500206] © [copyright World Scientific Publishing Company] [http://www.worldscientific.com/worldscinet/ijcmse]
Deposited On: 12 Feb 2014 22:44
Last Modified: 05 Jan 2015 10:12

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