Effect of Graphene Sheets Aggregation on The Dislocation-Blocking Mechanism of Nanolaminated Aluminum/Graphene Composite: Molecular Dynamics Simulation Study

Document Type : Research Article

Authors

Leading of Material Organization, Nuclear Science and Technology Research Institute (AEOI), P.O.Box: 8486-11365, Tehran – Iran

Abstract

Aluminum/graphene nanolaminated structures have a very proper reinforcing and toughening effect on aluminum composites. Graphene layers effectively prevent the growth and movement of dislocations in the aluminum matrix. Therefore, more and shorter dislocations lines occur in the aluminum matrix between the graphene layers. In this paper, tensile tests have been performed on nanolaminated aluminum/graphene composite using molecular dynamic simulation to study the dislocation-blocking mechanism and its reinforcing and toughening effect. The nucleation, expansion, and displacement of the dislocation in the aluminum matrix were investigated under tension. The results showed that the reinforcement mechanism includes increasing displacement density and shear stress transfer. Besides, the reinforcing and toughening effects were investigated as a function of the distance between the graphene sheets (the spacing of sheets between 4-14 Å). The results showed that the distance between the graphene sheets has an effective role in creating the dislocation-blocking mechanism in the aluminum matrix. Decreased graphene sheets increase the mechanical properties of the aluminum matrix due to the dislocation-blocking mechanism, which can be limited by the onset of graphene sheet aggregation. As the result, stable steps in 10-12 Å distance between graphene sheets were obtained by dislocations with a yield strength of about 14 GPa and yield strain of 0/065.

Keywords

Main Subjects


 [1] Z. Hu, G. Tong, D. Lin, C. Chen, H. Guo, J. Xu, L. Zhou, Graphene-reinforced metal matrix nanocomposites–a review, Materials Science and Technology, 32(9) (2016) 930-953.
[2] J. Liu, U. Khan, J. Coleman, B. Fernandez, P. Rodriguez, S. Naher, D. Brabazon, Graphene oxide and graphene nanosheet reinforced aluminium matrix composites: powder synthesis and prepared composite characteristics, Materials & design, 94 (2016) 87-94.
[3] S. Shin, H. Choi, J. Shin, D. Bae, Strengthening behavior of few-layered graphene/aluminum composites, Carbon, 82 (2015) 143-151.
[4] K. Duan, L. Li, Y. Hu, X. Wang, Interface mechanical properties of graphene reinforced copper nanocomposites, Materials Research Express, 4(11) (2017) 115020.
[5] Ö. Güler, N. Bağcı, A short review on mechanical properties of graphene reinforced metal matrix composites, Journal of Materials Research and Technology, (2020).
[6] S. Gong, H. Ni, L. Jiang, Q. Cheng, Learning from nature: constructing high performance graphene-based nanocomposites, Materials Today, 20(4) (2017) 210-219.
[7] J.C. Meyer, A.K. Geim, M.I. Katsnelson, K.S. Novoselov, T.J. Booth, S. Roth, The structure of suspended graphene sheets, Nature, 446(7131) (2007) 60-63.
[8] P. Liu, Z. Jin, G. Katsukis, L.W. Drahushuk, S. Shimizu, C.-J. Shih, E.D. Wetzel, J.K. Taggart-Scarff, B. Qing, K.J. Van Vliet, Layered and scrolled nanocomposites with aligned semi-infinite graphene inclusions at the platelet limit, Science, 353(6297) (2016) 364-367.
[9] S. Zhang, P. Huang, F. Wang, Graphene-boundary strengthening mechanism in Cu/graphene nanocomposites: A molecular dynamics simulation, Materials & Design, 190 (2020) 108555.
[10] X. Liu, F. Wang, W. Wang, H. Wu, Interfacial strengthening and self-healing effect in graphene-copper nanolayered composites under shear deformation, Carbon, 107 (2016) 680-688.
[11] X. Xia, Y. Su, Z. Zhong, G.J. Weng, A unified theory of plasticity, progressive damage and failure in graphene-metal nanocomposites, International journal of plasticity, 99 (2017) 58-80.
[12] S. Yan, S. Dai, X. Zhang, C. Yang, Q. Hong, J. Chen, Z. Lin, Investigating aluminum alloy reinforced by graphene nanoflakes, Materials Science and Engineering: A, 612 (2014) 440-444.
[13] Z. Li, Q. Guo, Z. Li, G. Fan, D.-B. Xiong, Y. Su, J. Zhang, D. Zhang, Enhanced mechanical properties of graphene (reduced graphene oxide)/aluminum composites with a bioinspired nanolaminated structure, Nano letters, 15(12) (2015) 8077-8083.
[14] D.-B. Xiong, M. Cao, Q. Guo, Z. Tan, G. Fan, Z. Li, D. Zhang, High content reduced graphene oxide reinforced copper with a bioinspired nano-laminated structure and large recoverable deformation ability, Scientific reports, 6(1) (2016) 1-8.
[15] Y. Kim, J. Lee, M.S. Yeom, J.W. Shin, H. Kim, Y. Cui, J.W. Kysar, J. Hone, Y. Jung, S. Jeon, Strengthening effect of single-atomic-layer graphene in metal–graphene nanolayered composites, Nature communications, 4 (2013) 2114.
[16] S. Feng, Q. Guo, Z. Li, G. Fan, Z. Li, D.-B. Xiong, Y. Su, Z. Tan, J. Zhang, D. Zhang, Strengthening and toughening mechanisms in graphene-Al nanolaminated composite micro-pillars, Acta Materialia, 125 (2017) 98-108.
[17] Z. Li, X. Fu, Q. Guo, L. Zhao, G. Fan, Z. Li, D.-B. Xiong, Y. Su, D. Zhang, Graphene quality dominated interface deformation behavior of graphene-metal composite: the defective is better, International Journal of Plasticity, 111 (2018) 253-265.
[18] L. Zhao, Q. Guo, Z. Li, Z. Li, G. Fan, D.-B. Xiong, Y. Su, J. Zhang, Z. Tan, D. Zhang, Strain-rate dependent deformation mechanism of graphene-Al nanolaminated composites studied using micro-pillar compression, International Journal of Plasticity, 105 (2018) 128-140.
[19] W. Zhou, Y. Fan, X. Feng, K. Kikuchi, N. Nomura, A. Kawasaki, Creation of individual few-layer graphene incorporated in an aluminum matrix, Composites Part A: Applied Science and Manufacturing, 112 (2018) 168-177.
[20] X. Mu, H. Cai, H. Zhang, Q. Fan, Z. Zhang, Y. Wu, Y. Ge, D. Wang, Interface evolution and superior tensile properties of multi-layer graphene reinforced pure Ti matrix composite, Materials & Design, 140 (2018) 431-441.
[21] Y. Rong, H. P. He, L. Zhang, N. Li, Y. C. Zhu, Molecular dynamics studies on the strengthening mechanism of Al matrix composites reinforced by grapnene nanoplatelets, Computational Materials Science, 153 (2018) 48-56.
[22] N. Silvestre, B. Faria, J.N.C. Lopes, Compressive behavior of CNT-reinforced aluminum composites using molecular dynamics, Composites Science and Technology, 90 (2014) 16-24.
[23] B.K. Choi, G.H. Yoon, S. Lee, Molecular dynamics studies of CNT-reinforced aluminum composites under uniaxial tensile loading, Composites Part B: Engineering, 91 (2016) 119-125.
[24] S. Kumar, Graphene Engendered aluminium crystal growth and mechanical properties of its composite: An atomistic investigation, Materials Chemistry and Physics, 208 (2018) 41-48.
[25] S. Kumar, S.K. Pattanayek, S.K. Das, Reactivity-Controlled Aggregation of Graphene Nanoflakes in Aluminum Matrix: Atomistic Molecular Dynamics Simulation, The Journal of Physical Chemistry C, 123(29) (2019) 18017-18027.
[26] R. Rezaei, C. Deng, H. Tavakoli-Anbaran, M. Shariati, Deformation twinning-mediated pseudoelasticity in metal–graphene nanolayered membrane, Philosophical Magazine Letters, 96(8) (2016) 322-329.
[27] K. Duan, F. Zhu, K. Tang, L. He, Y. Chen, S. Liu, Effects of chirality and number of graphene layers on the mechanical properties of graphene-embedded copper nanocomposites, Computational Materials Science, 117 (2016) 294-299.
[28] X. Liu, F. Wang, H. Wu, W. Wang, Strengthening metal nanolaminates under shock compression through dual effect of strong and weak graphene interface, Applied Physics Letters, 104(23) (2014) 231901.
[29] R. Rezaei, Tensile mechanical characteristics and deformation mechanism of metal-graphene nanolayered composites, Computational Materials Science, 151 (2018) 181-188.
[30] Y. Rong, H. He, L. Zhang, N. Li, Y. Zhu, Molecular dynamics studies on the strengthening mechanism of Al matrix composites reinforced by grapnene nanoplatelets, Computational Materials Science, 153 (2018) 48-56.
[31] J.-Q. Zhu, X. Liu, Q.-S. Yang, Dislocation-blocking mechanism for the strengthening and toughening of laminated graphene/Al composites, Computational Materials Science, 160 (2019) 72-81.
[32] M. Mendelev, M. Kramer, C.A. Becker, M. Asta, Analysis of semi-empirical interatomic potentials appropriate for simulation of crystalline and liquid Al and Cu, Philosophical Magazine, 88(12) (2008) 1723-1750.
[33] T.C. O’Connor, J. Andzelm, M.O. Robbins, AIREBO-M: A reactive model for hydrocarbons at extreme pressures, The Journal of chemical physics, 142(2) (2015) 024903.
[34] D.W. Brenner, O.A. Shenderova, J.A. Harrison, S.J. Stuart, B. Ni, S.B. Sinnott, A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons, Journal of Physics: Condensed Matter, 14(4) (2002) 783.
[35] A.P. Thompson, S.J. Plimpton, W. Mattson, General formulation of pressure and stress tensor for arbitrary many-body interaction potentials under periodic boundary conditions, The Journal of chemical physics, 131(15) (2009) 154107.
[36] A.S. Visualization, analysis of atomistic simulation data with OVITO-the Open Visualization Tool Modelling Simul, Mater. Sci. Eng, 18 (2010) 015012.
[37] R. Rezaei, H. Tavakoli-Anbaran, M. Shariati, Mechanical Characteristics and Failure Mechanism of Nano-Single Crystal Aluminum Based on Molecular Dynamics Simulations: Strain Rate and Temperature Effects, Journal of Solid Mechanics, 9(4) (2017) 794-801.
[38] R. Rezaei, M. Shariati, H. Tavakoli-Anbaran, Mechanical characteristics and deformation mechanism of boron nitride nanotube reinforced metal matrix nanocomposite based on molecular dynamics simulations, Journal of Materials Research, 33(12) (2018) 1733-1741.
[39] V. Palermo, I.A. Kinloch, S. Ligi, N.M. Pugno, Nanoscale mechanics of graphene and graphene oxide in composites: a scientific and technological perspective, Advanced Materials, 28(29) (2016) 6232-6238.
[40] J. Zhang, G. Liu, J. Sun, Strain rate effects on the mechanical response in multi-and single-crystalline Cu micropillars: grain boundary effects, International Journal of Plasticity, 50 (2013) 1-17.
[41] H. Daneshmand, M. Rezaeinasab, M. Asgary, Wettability alteration and retention of mixed polymer-grafted silica nanoparticles onto oil-wet porous medium, Petroleum Science, (2021).
[42] H. Daneshmand, M. Araghchi, M. Asgary, A spray pyrolysis method for fabrication of superhydrophobic copper substrate based on modified-alumina powder by fatty acid, Journal of Particle Science & Technology, 6(1) (2020) 25-36.
[43] H. Daneshmand, M. Araghchi, M. Asgary, M. Karimi, M. Torab-Mostaedi, New insight into adsorption mechanism of nickel-ammonium complex on the growth of nickel surfaces with hierarchical nano/microstructure, Results in Surfaces and Interfaces, (2021) 100014.