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Crack propagation in graphene

Budarapu, PR and Javvaji, B and Sutrakar, VK and Mahapatra, Roy D and Zi, G and Rabczuk, T (2015) Crack propagation in graphene. In: JOURNAL OF APPLIED PHYSICS, 118 (6).

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Official URL: http://dx.doi.org/10.1063/1.4928316

Abstract

The crack initiation and growth mechanisms in an 2D graphene lattice structure are studied based on molecular dynamics simulations. Crack growth in an initial edge crack model in the arm-chair and the zig-zag lattice configurations of graphene are considered. Influence of the time steps on the post yielding behaviour of graphene is studied. Based on the results, a time step of 0.1 fs is recommended for consistent and accurate simulation of crack propagation. Effect of temperature on the crack propagation in graphene is also studied, considering adiabatic and isothermal conditions. Total energy and stress fields are analyzed. A systematic study of the bond stretching and bond reorientation phenomena is performed, which shows that the crack propagates after significant bond elongation and rotation in graphene. Variation of the crack speed with the change in crack length is estimated. (C) 2015 AIP Publishing LLC.

Item Type: Journal Article
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Department/Centre: Division of Mechanical Sciences > Aerospace Engineering (Formerly, Aeronautical Engineering)
Date Deposited: 11 Sep 2015 04:44
Last Modified: 11 Sep 2015 04:44
URI: http://eprints.iisc.ernet.in/id/eprint/52322

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