Structural Mechanics Approach to Investigate the Hyperelastic Mechanical Behavior of Single and Multi-wall Carbon Nanotubes

Document Type : Research Paper

Authors

Department of Materials Science and Engineering, K. N. Toosi University of Technology, Tehran, Iran

Abstract

In the current research, a three-dimensional finite element model was considered to predict the mechanical behavior of Single Wall (SWCNTs) and Multi Wall Carbon Nanotubes (MWCNTs). Assuming the nonlinear elastic behavior of C-C bond in large strains, hyperelastic models were considered. Literature review revealed that the material parameters of the hyperelastic models have been determined from the uniaxial tension loading, although the nonlinear elastic behavior is not identical in the tension and compressions. Thereby, the energy-stretch curve of C-C bond was determined from the second-generation Brenner potential in uniaxial tension and compression conditions. The results were fitted to the Ogden, Moony-Rivlin, and Yeoh hyperelastic strain energy functions to derive the material parameter of the mentioned models. The results indicated that the second order Ogden model could describe the tensile and compressive hyperelastic behavior of the C-C bonds accurately. The results of SWCNT bending showed that a unique response could be captured by considering the tension and compression simultaneously in deriving of the material parameters. From the results of SWCNT, the mechanical behavior of MWCNTs were predicted by assuming the Van der Waals bonds between the layers using the Lennard-Jones potential. Results of loading on the external layer of MWCNTs showed that an increase in the layers causes a decrease in the stress so that the stress-strain curves become identical beyond 8 layers. Accordingly, the material parameters of the first order Ogden model were determined for MWCNTs considering the simultaneous response in tension and compression.

Keywords


[1] N.A. Sakharova, A.F.G. Pereira, J.M. Antunes, C.M.A. Brett, J.V. Fernandes, Mechanical characterization of single-walled carbon nanotubes: Numerical simulation study, Composites Part B: Engineering, 75 (2015) 73-85.
[2] X. Gui, J. Wei, K. Wang, A. Cao, H. Zhu, Y. Jia, Q. Shu, D. Wu, Carbon nanotube sponges, Advanced materials, 22 (2010) 617-621.
[3] X. Gui, H. Li, K. Wang, J. Wei, Y. Jia, Z. Li, L. Fan, A. Cao, H. Zhu, Dehai Wu, Recyclable carbon nanotube sponges for oil absorption, Acta Materialia, 59 (2011) 4798- 4804.
[4] A. Pantano, D. M.Parks, M. C.Boyce, Mechanics of deformation of single- and multi-wall carbon nanotubes, Journal of the Mechanics and Physics of Solids, 52 (2004) 789-821.
[5] R. Rafiee, R.M. Moghadam,On the modeling of carbon nanotubes: a critical review, Composites Part B: Engineering, 56 (2014) 435-449.
[6] K.I. Tserpes, P. Papanikos, Finite element modeling of single-walled carbon nanotubes, Composites Part B: Engineering, 36 (2005) 468-477.
[7] T. Xiao, K. Liao, Nonlinear elastic properties of carbon nanotubes subjected to large axial deformations, Physical Review B, 66 (2002) 153407 (1-4).
[8] D. W. Brenner, O. A. Shenderova, J. A., Harrison, S. J. Stuart, S. B. Sinnott.  A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons, Journal of Physics: Condensed Matter, 14 (2002) 783-802.
[9] B. WenXing, Z. ChangChun, Cui WanZhao, Simulation of Young’s modulus of single-walled carbon nanotubes by molecular dynamics, Physica B, 352 (2004) 156-163.
[10] K. G. S. Dilrukshi, M. A. N. Dewapriya, U. G. A. Puswewala, Size dependency and potential field influence on deriving mechanical properties of carbon nanotubes using molecular dynamics, Theoretical and Applied Mechanics Letters, 5 (2015), 167-172.
[11] Y. Liang, Q. Han, J. Ou, Bending Solutions of Cantilever Carbon Nanotubes and Molecular Dynamics Simulation, Journal of Computational and Theoretical Nanoscience, 11 (2014) 71-75.
[12] X. Ling, S.N. Atluri, A hyperelastic description of single wall carbon nanotubes at moderate strains and temperatures, Computer Modeling in Engineering and Sciences, 21 (2007) 81-91
[13] X. Ling, S. N. Atluri, hyperelastic description of single wall carbon nanotubes, Journal of applied physics, 101 (2007), 064316 (1-4).
[14] E. I. Saavedra Flores, S. Adhikari, M. I. Friswell, F. Scarpa, Hyperelastic modelling of post-buckling response in single wall carbon nanotubes under axial compression, Procedia Engineering, 10 (2011) 2256–2261.
[15] R.W. Ogden, Non-linear elastic deformations, Courier Corporation, 1997.
[16] E.I. Saavedra Flores, S. Adhikari, M.I. Friswell, F. Scarpa, Hyperelastic finite element model for single wall carbon nanotubes in tension, Computational Materials Science, 50 (2011) 1083-1087.
[17] D.W. Brenner, Empirical potential for hydrocarbons for use in simulating the chemical vapor deposition of diamond films. Physical review B, 42 (1990) 9458-9471.
[18] H. Darijani, R. Naghdabadi, Hyperelastic materials behavior modeling using consistent strain energy density functions, Acta mechanica, 213 (2010) 235-254.
[19] M. Hosseinzadeh, M. Ghoreishi, K. Narooei, Investigation of hyperelastic models for nonlinear elastic behavior of demineralized and deproteinized bovine cortical femur bone, Journal of the mechanical behavior of biomedical materials, 59 (2016) 393-403.
[20] A.L. Kalamkarov, A.V. Georgiades, S.K. Rokkam, V.P. Veedu, M.N. Ghasemi-Nejhad, Analytical and numerical techniques to predict carbon nanotubes properties, International Journal of Solids and Structures, 43 (2006) 6832-6854.
[21] P. S. Rao, S., Anandatheertha, G. N. Naik, S. Gopalakrishnan, Estimation of mechanical properties of single wall carbon nanotubes using molecular mechanics approach. Sadhana, 40 (2015) 1301-1311.
[22] C. Li, TW. Chou, Elastic moduli of multi-walled carbon nanotubes and the effect of van der Waals forces, Composites Science and Technology, 63 (2003) 1517- 1524.
[23] K. M. Liew, X. Q. He, C. H. Wong, On the study of elastic and plastic properties of multi walled carbon nanotubes under axial tension using molecular, Acta Materialia, 52 (2004) 2521-2527.
[24] Z. c. Tu, Z. c. Ou-Yang, Single-walled and multiwalled carbon nanotubes viewed as elastic tube with the effective Young’s moduli dependent on layer number. Physical Review B, 65 (2002) 1-4.
[25] E. Mohammadpour, M. Awang. "Nonlinear finite-element modeling of graphene and single-and multi-walled carbon nanotubes under axial tension. Applied Physics A, 106 (2012) 581-588.
[26] E. Mohammadpour, M. Awang, A finite element model for predicting the tensile behavior of carbon naotube, 2011 National Postgraduate Conference, (2011) 1-6.
[27] J.R. Xiao, B.A. Gama, J.W. Gillespie Jr, An analytical molecular structural mechanics model for the mechanical properties of carbon nanotubes, International Journal of Solids and Structures, 42 (2005) 3075-3092.
[28] W. W. Feng, J. O. J. s. Hallquist, On Mooney-Rivlin constants for elastomers, stress (force per unit undeformed area), 1 (2017) 1-10.
[29] C. Renaud, J. M. Cros, Z. Q. Feng, B. Yang, The Yeoh model applied to the modeling of large deformation contact/impact problems, International Journal of Impact Engineering, 36 (2009) 659-666.
[30] T. Beda, An approach for hyperelastic model-building and parameters estimation a review of constitutive models, European Polymer Journal, 50 (2014) 97-108.
[31] M. F. Yu, O. Lourie, M. J. Dyer, K. Moloni, T. F. Kelly, R.S. Ruoff, Strength and breaking mechanism of multiwalled carbon nanotubes under tensile load, Science, 287 (2000) 637-640.