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Please use this identifier to cite or link to this item: http://repository.iitr.ac.in/handle/123456789/17780
Title: Effect of topological defects on mechanical properties of graphene sheets: A molecular dynamics study
Authors: Rajasekaran G.
Parashar A.
Sivaprasad K.
Muthupandi V.
Published in: Proceedings of Materials Today
Abstract: The mechanical properties of graphene may be strongly influenced by topological defects such as vacancies, Stone-Thrower-Wales (STW) defects. In this research article, the effects of Stone Thrower Wales (STW) defect on the mechanical properties such as intrinsic strength and fracture toughness of graphene sheet have been investigated by using molecular dynamics based simulations. The intrinsic properties of graphene sheet are strongly affected by the orientation of STW defects. For STW2 defected graphene sheet, the strength of the armchair direction is much higher than that of zigzag direction. While the scenario for STW1 defected graphene is opposite, the strength of the zigzag direction is much higher than that of armchair direction. Furthermore, we investigated that STW defects can be used for tailoring the fracture toughness of graphene sheet. Significant improvement in the fracture toughness of graphene in armchair direction was predicted, while STW defects were positioned in front of the crack-tip. Interaction of stress fields generated from crack tip as well as from STW defects helps in tailoring the fracture behavior of graphene. © 2017 Elsevier Ltd.
Citation: Proceedings of Materials Today, (2018), 6780- 6788
URI: https://doi.org/10.1016/j.matpr.2017.11.337
http://repository.iitr.ac.in/handle/123456789/17780
Issue Date: 2018
Publisher: Elsevier Ltd
Keywords: Fracture toughness
Graphene
Mechanical properties
Stress intensity factor
Topological defects
ISSN: 22147853
Author Scopus IDs: 57094764500
23668772300
Author Affiliations: Rajasekaran, G., Department of Mechanical and Industrial Engineering, Indian Institute of Technology, Roorkee, 247667, India
Parashar, A., Department of Mechanical and Industrial Engineering, Indian Institute of Technology, Roorkee, 247667, India
Funding Details: This work is supported by Nanomission, Department of Science and Technology (DST), India (Grant No. DST-952-MID) and Indian Institute of Technology (IIT) Roorkee, India (Grant No. MID/FIG/100667). We thank Ministry of Human Recourse and Development (MHRD), India for providing funding support for this project.
Corresponding Author: Rajasekaran, G.; Department of Mechanical and Industrial Engineering, Indian Institute of TechnologyIndia; email: rajasekaran.ed@gmail.com
Appears in Collections:Conference Publications [ME]

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