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Mechanical properties of Graphene: Molecular dynamics simulations correlated to continuum based scaling laws

Javvaji, B and Budarapu, PR and Sutrakar, VK and Mahapatra, Roy D and Paggi, M and Zi, G and Rabczuk, T (2016) Mechanical properties of Graphene: Molecular dynamics simulations correlated to continuum based scaling laws. In: COMPUTATIONAL MATERIALS SCIENCE, 125 . pp. 319-327.

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Official URL: http://dx.doi.org/ 10.1016/j.commatsci.2016.08.016

Abstract

In this paper, the combined effect of domain size, lattice orientation and crack length on the mechanical properties of Graphene, namely the yield strength and strain, are studied extensively based on molecular dynamics simulations. Numerical predictions are compared with the continuum- based laws of size effect and multifractal scaling. The yield strength is found to vary with the specimen size as approximate to L-1/3, which is in agreement with the multifractal scaling law, and with the inverse square of the initial crack length as approximate to a(0)(1/2), according to the Griffith's energy criterion for fracture. (C) 2016 Elsevier B.V. All rights reserved.

Item Type: Journal Article
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Additional Information: Copy right for this article belongs to the ELSEVIER SCIENCE BV, PO BOX 211, 1000 AE AMSTERDAM, NETHERLANDS
Department/Centre: Division of Mechanical Sciences > Aerospace Engineering (Formerly, Aeronautical Engineering)
Date Deposited: 03 Dec 2016 06:34
Last Modified: 03 Dec 2016 06:34
URI: http://eprints.iisc.ernet.in/id/eprint/55300

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