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Anomalous Strength Characteristics of Stone-Thrower-Wales Defects in Graphene Sheet – A Molecular Dynamics Study

Abstract

Graphene, the one atom-thick sheet of carbon exhibits outstanding mechanical properties, but the defects which are inevitable at the time of synthesis may strongly affect these properties. In this research work, the effects of two types of Stone-Thrower-Wales (namely STW-1 and STW-2) defects on the mechanical properties of graphene sheet at different temperature and strain rate have been investigated based on molecular dynamics simulations. Authors have also investigated the effect of strain-rate and defect concentration on the failure morphology of STW-1 and STW-2 defected graphene sheet. It was observed that irrespective of the strain rate the fracture strength of STW-1 and STW-2 defected graphene sheets are identical in zigzag and armchair directions respectively at low temperature. Also it was observed that the fracture strength of graphene sheet with STW-1 in armchair direction and with STW-2 in zigzag directions have been dropped drastically at higher temperature and also at lower strain rate. . Whereas, on the other hand it was noticed that the fracture strength of graphene sheet with STW-1 in zigzag and STW-2 in armchair directions, dropped gradually when increasing the temperature and decreasing the strain rate. Also, it has been predicted that failure morphology of graphene sheet with STW-1 in zigzag and STW-2 in armchair direction depends on the defect concentration and the strain-rate.

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Publication details

The article was received on 23 Jan 2018, accepted on 08 May 2018 and first published on 09 May 2018


Article type: Paper
DOI: 10.1039/C8CP00499D
Citation: Phys. Chem. Chem. Phys., 2018, Accepted Manuscript
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    Anomalous Strength Characteristics of Stone-Thrower-Wales Defects in Graphene Sheet – A Molecular Dynamics Study

    A. Juneja and G. Rajasekaran, Phys. Chem. Chem. Phys., 2018, Accepted Manuscript , DOI: 10.1039/C8CP00499D

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