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Crystals 2018, 8(12), 465; https://doi.org/10.3390/cryst8120465

The Mechanical Properties of Defective Graphyne

1
The Institute of Technological Sciences, Wuhan University, Wuhan 430072, China
2
Nuclear Engineering and Radiological Sciences, University of Michigan, Ann Arbor, MI 48109, USA
*
Authors to whom correspondence should be addressed.
Received: 24 November 2018 / Revised: 7 December 2018 / Accepted: 9 December 2018 / Published: 12 December 2018
(This article belongs to the Special Issue Graphene Mechanics)
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Abstract

Graphyne is a two-dimensional carbon allotrope with superior one-dimensional electronic properties to the “wonder material” graphene. In this study, via molecular dynamics simulations, we investigated the mechanical properties of α-, β-, δ-, and γ-graphynes with various type of point defects and cracks with regard to their promising applications in carbon-based electronic devices. The Young’s modulus and the tensile strength of the four kinds of graphyne were remarkably high, though still lower than graphene. Their Young’s moduli were insensitive to various types of point defects, in contrast to the tensile strength. When a crack slit was present, both the Young’s modulus and tensile strength dropped significantly. Furthermore, the Young’s modulus was hardly affected by the strain rate, indicating potential applications in some contexts where the strain rate is unstable, such as the installation of membranes. View Full-Text
Keywords: graphyne; mechanical properties; stress-strain; Young’s modulus; tensile strength; strain rate graphyne; mechanical properties; stress-strain; Young’s modulus; tensile strength; 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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Lei, S.; Cao, Q.; Geng, X.; Yang, Y.; Liu, S.; Peng, Q. The Mechanical Properties of Defective Graphyne. Crystals 2018, 8, 465.

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