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Nonlinear Mechanical Properties of Graphene Nanoribbons

Published online by Cambridge University Press:  02 March 2011

Qiang Lu  and
Rui Huang
Qiang Lu
Affiliation:
Department of Aerospace Engineering and Engineering Mechanics, University of Texas, Austin, Texas 78712, USA
Rui Huang
Affiliation:
Department of Aerospace Engineering and Engineering Mechanics, University of Texas, Austin, Texas 78712, USA
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Abstract

Based on atomistic simulations, the nonlinear elastic properties of monolayer graphene nanoribbons under quasistatic uniaxial tension are predicted, emphasizing the effect of edge structures (armchair and zigzag, without and with hydrogen passivation). The results of atomistic simulations are interpreted using a theoretical model of thermodynamics, which enables determination of the nonlinear functions for the strain-dependent edge energy and the hydrogen adsorption energy, for both zigzag and armchair edges. Due to the edge effects, the initial Young’s modulus of graphene nanoribbons under infinitesimal strain varies with the edge chirality and the ribbon width. Furthermore, it is found that the nominal strain to fracture is considerably lower for armchair graphene nanoribbons than for zigzag ribbons. Two distinct fracture mechanisms are identified, with homogeneous nucleation for zigzag ribbons and edge-controlled heterogeneous nucleation for armchair ribbons.

Keywords

Cfractureelastic properties
Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 1284: Symposium C – Fundamentals of Low-Dimensional Carbon Nanomaterials , 2011 , mrsf10-1284-c14-02
Copyright
Copyright © Materials Research Society 2011

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