Graphynes, a new family of carbon allotropes, exhibit superior mechanical properties depending on their atomic structures and have been proposed as a promising building materials for nanodevices. Accurate modeling and clearer understanding of their mechanical properties are essential to the future applications of graphynes. In this paper, an analytical molecular mechanics model is proposed for relating the elastic properties of graphynes to their atomic structures directly. The closed-form expressions for the in-plane stiffness and Poisson's ratio of graphyne-n are obtained for small strains. It is shown that the in-plane stiffness is a decreasing function whereas Poisson's ratio is an increasing function of the number of acetylenic linkages between two adjacent hexagons in graphyne-n. The present analytical results enable direct linkages between mechanical properties and lattice structures of graphynes; thereby, providing useful guidelines in designing graphyne configurations to suit their potential applications. Based on an effective bond density analysis, a scaling law is also established for the in-plane stiffness of graphyne-n which may have implications for their other mechanical properties.
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September 2015
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An Analytical Molecular Mechanics Model for Elastic Properties of Graphyne-n
Juan Hou,
Juan Hou
Shanghai Key Laboratory of Mechanics
in Energy Engineering,
Shanghai Institute of Applied Mathematics and Mechanics,
in Energy Engineering,
Shanghai Institute of Applied Mathematics and Mechanics,
Shanghai University
,Shanghai 200072
, China
Search for other works by this author on:
Zhengnan Yin,
Zhengnan Yin
Shanghai Key Laboratory of Mechanics
in Energy Engineering,
Shanghai Institute of Applied Mathematics and Mechanics,
in Energy Engineering,
Shanghai Institute of Applied Mathematics and Mechanics,
Shanghai University
,Shanghai 200072
, China
Search for other works by this author on:
Yingyan Zhang,
Yingyan Zhang
School of Computing, Engineering and Mathematics,
University of Western Sydney
, Penrith South DC
,New South Wales 2751
, Australia
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Tienchong Chang
Tienchong Chang
1
Shanghai Key Laboratory of Mechanics
in Energy Engineering,
Shanghai Institute of Applied Mathematics and Mechanics,
in Energy Engineering,
Shanghai Institute of Applied Mathematics and Mechanics,
Shanghai University
,Shanghai 200072
, China
State Key Laboratory of Ocean Engineering,
School of Naval Architecture,
Ocean and Civil Engineering,
e-mail: tchang@staff.shu.edu.cn
School of Naval Architecture,
Ocean and Civil Engineering,
Shanghai Jiao Tong University
,Shanghai 200240
, China
e-mail: tchang@staff.shu.edu.cn
1Corresponding author.
Search for other works by this author on:
Juan Hou
Shanghai Key Laboratory of Mechanics
in Energy Engineering,
Shanghai Institute of Applied Mathematics and Mechanics,
in Energy Engineering,
Shanghai Institute of Applied Mathematics and Mechanics,
Shanghai University
,Shanghai 200072
, China
Zhengnan Yin
Shanghai Key Laboratory of Mechanics
in Energy Engineering,
Shanghai Institute of Applied Mathematics and Mechanics,
in Energy Engineering,
Shanghai Institute of Applied Mathematics and Mechanics,
Shanghai University
,Shanghai 200072
, China
Yingyan Zhang
School of Computing, Engineering and Mathematics,
University of Western Sydney
, Penrith South DC
,New South Wales 2751
, Australia
Tienchong Chang
Shanghai Key Laboratory of Mechanics
in Energy Engineering,
Shanghai Institute of Applied Mathematics and Mechanics,
in Energy Engineering,
Shanghai Institute of Applied Mathematics and Mechanics,
Shanghai University
,Shanghai 200072
, China
State Key Laboratory of Ocean Engineering,
School of Naval Architecture,
Ocean and Civil Engineering,
e-mail: tchang@staff.shu.edu.cn
School of Naval Architecture,
Ocean and Civil Engineering,
Shanghai Jiao Tong University
,Shanghai 200240
, China
e-mail: tchang@staff.shu.edu.cn
1Corresponding author.
Contributed by the Applied Mechanics Division of ASME for publication in the JOURNAL OF APPLIED MECHANICS. Manuscript received March 9, 2015; final manuscript received April 26, 2015; published online June 16, 2015. Editor: Yonggang Huang.
J. Appl. Mech. Sep 2015, 82(9): 094501 (5 pages)
Published Online: September 1, 2015
Article history
Received:
March 9, 2015
Revision Received:
April 26, 2015
Online:
June 16, 2015
Citation
Hou, J., Yin, Z., Zhang, Y., and Chang, T. (September 1, 2015). "An Analytical Molecular Mechanics Model for Elastic Properties of Graphyne-n." ASME. J. Appl. Mech. September 2015; 82(9): 094501. https://doi.org/10.1115/1.4030502
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