Engineering the mechanical properties of graphene nanotube hybrid structures through structural modulation

Xia, Kang, Zhan, Haifei, Wei, Ye, Sang, Shengbo, & Gu, YuanTong (2014) Engineering the mechanical properties of graphene nanotube hybrid structures through structural modulation. In Liu, Gui-Rong & Guan, Z. W. (Eds.) Proceedings of the International Conference on Computational Methods, Scientech Publisher llc, USA, Cambridge, England, pp. 1-9.

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The excellent multi-functional properties of carbon nanotube (CNT) and graphene have enabled them as appealing building blocks to construct 3D carbon-based nanomaterials or nanostructures. The recently reported graphene nanotube hybrid structure (GNHS) is one of the representatives of such nanostructures. This work investigated the relationships between the mechanical properties of the GNHS and its structure basing on large-scale molecular dynamics simulations. It is found that increasing the length of the constituent CNTs, the GNHS will have a higher Young’s modulus and yield strength. Whereas, no strong correlation is found between the number of graphene layers and Young’s modulus and yield strength, though more graphene layers intends to lead to a higher yield strain. In the meanwhile, the presences of multi-wall CNTs are found to greatly strengthen the hybrid structure. Generally, the hybrid structures exhibit a brittle behavior and the failure initiates from the connecting regions between CNT and graphene. More interestingly, affluent formations of monoatomic chains and rings are found at the fracture region. This study provides an in-depth understanding of the mechanical performance of the GNHSs while varying their structures, which will shed lights on the design and also the applications of the carbon-based nanostructures.

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ID Code: 75892
Item Type: Conference Paper
Refereed: Yes
Additional Information: This paper received the Best Paper Award in the conference.
Additional URLs:
Keywords: graphene, carbon nanotube, tension, molecular dynamics simulations
ISSN: 2374-3948
Subjects: Australian and New Zealand Standard Research Classification > ENGINEERING (090000) > MATERIALS ENGINEERING (091200) > Materials Engineering not elsewhere classified (091299)
Australian and New Zealand Standard Research Classification > ENGINEERING (090000) > MECHANICAL ENGINEERING (091300) > Numerical Modelling and Mechanical Characterisation (091307)
Australian and New Zealand Standard Research Classification > TECHNOLOGY (100000) > NANOTECHNOLOGY (100700) > Nanoscale Characterisation (100712)
Divisions: Current > Schools > School of Chemistry, Physics & Mechanical Engineering
Current > QUT Faculties and Divisions > Science & Engineering Faculty
Copyright Owner: Copyright 2014 The authors
Copyright Statement: This work is licensed under a Creative Commons Attribution 3.0 License
Deposited On: 02 Sep 2014 23:48
Last Modified: 04 Sep 2014 08:33

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