Abstract
A graphene/polyethylene hybrid 2D polymer, “graphylene”, exhibits a higher theoretical fracture toughness than graphene, while remaining 2× stiffer and 9× stronger than Kevlar®, per mass. Within the base structure of graphylene, the sp3-bonded polyethylene linkages provide compliance for ductile fracture, while the benzene rings contribute to high stiffness and strength. Combining stiff and compliant units to achieve enhanced mechanical performance demonstrates the potential of designing 2D materials at the molecular level.
This is a preview of subscription content, log in via an institution to check access.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
References
Lee, C., et al.: Measurements of the elastic properties and intrinsic strength of monolayer graphene. Science 321(5887), 385–388 (2008)
Petrone, N., et al.: Chemical vapor deposition-derived graphene with electrical performance of exfoliated graphene. Nano Lett. 12(6), 2751–2756 (2012)
Lee, G.-H., et al.: High-strength chemical-vapor–deposited graphene and grain boundaries. Science 340(6136), 1073–1076 (2013)
Grantab, R., Shenoy, V.B., Ruoff, R.S.: Anomalous strength characteristics of tilt grain boundaries in graphene. Science 330(6006), 946–948 (2010) (Copyright 2010, The Institution of Engineering and Technology)
Wetzel, E.D., Balu, R., Beaudet, T.D.: A theoretical consideration of the ballistic response of continuous graphene membranes. J. Mech. Phys. Solids 82, 23–31 (2015)
Lee, J.-H., et al.: Dynamic mechanical behavior of multilayer graphene via supersonic projectile penetration. Science 346(6213), 1092–1096 (2014)
Zhang, P., et al.: Fracture toughness of graphene. Nat. Commun. 5, 3782 (2014)
Hwangbo, Y., et al.: Fracture characteristics of monolayer CVD-graphene. Sci. Rep. 4, 4439 (2014)
Cranford, S.W., Buehler, M.J.: Mechanical properties of graphyne. Carbon 49(13), 4111–4121 (2011)
Enyashin, A.N., Ivanovskii, A.L.: Graphene allotropes. Phys. Status Solidi B 248(8), 1879–1883 (2011)
Pei, Q., Zhang, Y., Shenoy, V.: A molecular dynamics study of the mechanical properties of hydrogen functionalized graphene. Carbon 48(3), 898–904 (2010)
Li, Y., et al.: Mechanical properties of hydrogen functionalized graphene allotropes. Comput. Mater. Sci. 83, 212–216 (2014)
Zhang, Z., Wang, X., Lee, J.D.: An atomistic methodology of energy release rate for graphene at nanoscale. J. Appl. Phys. 115(11), 114314 (2014)
Le, M.-Q., Batra, R.C.: Single-edge crack growth in graphene sheets under tension. Comput. Mater. Sci. 69, 381–388 (2013)
Pastewka, L., et al.: Describing bond-breaking processes by reactive potentials: importance of an environment-dependent interaction range. Phys. Rev. B 78(16), 161402 (2008)
Buehler, M.J., Gao, H.: Modeling dynamic fracture using large-scale atomistic simulations. In: Shukla, A. (ed.) Dynamic Fracture Mechanics, p. 1. World Scientific, Singapore, (2006)
Markus, J.B., et al.: Cracking and adhesion at small scales: atomistic and continuum studies of flaw tolerant nanostructures. Model. Simul. Mater. Sci. Eng. 14(5), 799 (2006)
Author information
Authors and Affiliations
Corresponding author
Editor information
Editors and Affiliations
Rights and permissions
Copyright information
© 2017 The Society for Experimental Mechanics, Inc.
About this paper
Cite this paper
Sandoz-Rosado, E., Beaudet, T.D., Balu, R., Wetzel, E.D. (2017). Atomistic Simulation of a Two-Dimensional Polymer Tougher Than Graphene. In: Casem, D., Lamberson, L., Kimberley, J. (eds) Dynamic Behavior of Materials, Volume 1. Conference Proceedings of the Society for Experimental Mechanics Series. Springer, Cham. https://doi.org/10.1007/978-3-319-41132-3_1
Download citation
DOI: https://doi.org/10.1007/978-3-319-41132-3_1
Published:
Publisher Name: Springer, Cham
Print ISBN: 978-3-319-41131-6
Online ISBN: 978-3-319-41132-3
eBook Packages: EngineeringEngineering (R0)