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Micromachines 2018, 9(9), 440; https://doi.org/10.3390/mi9090440

A Molecular Dynamics Study of the Mechanical Properties of Twisted Bilayer Graphene

1
and
2,3,*
1
Computer Sciences and Engineering, University of Michigan, Ann Arbor, MI 48109, USA
2
Nuclear Engineering and Radiological Sciences, University of Michigan, Ann Arbor, MI 48109, USA
3
Department of Mechanical, Aerospace and Nuclear Engineering, Rensselaer Polytechnic Institute, Troy, NY 12180, USA
*
Author to whom correspondence should be addressed.
Received: 6 August 2018 / Revised: 26 August 2018 / Accepted: 26 August 2018 / Published: 31 August 2018
(This article belongs to the Special Issue Atomic Scale Materials for Electronic and Photonic Devices)
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Abstract

Graphene is one of the most important nanomaterials. The twisted bilayer graphene shows superior electronic properties compared to graphene. Here, we demonstrate via molecular dynamics simulations that twisted bilayer graphene possesses outstanding mechanical properties. We find that the mechanical strain rate and the presence of cracks have negligible effects on the linear elastic properties, but not the nonlinear mechanical properties, including fracture toughness. The “two-peak” pattern in the stress-strain curves of the bilayer composites of defective and pristine graphene indicates a sequential failure of the two layers. Our study provides a safe-guide for the design and applications of multilayer grapheme-based nanoelectronic devices. View Full-Text
Keywords: bilayer graphene; mechanical properties; stress-strain; fracture toughness; strain rate bilayer graphene; mechanical properties; stress-strain; fracture toughness; strain rate
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This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. (CC BY 4.0).
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Liu, A.; Peng, Q. A Molecular Dynamics Study of the Mechanical Properties of Twisted Bilayer Graphene. Micromachines 2018, 9, 440.

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