Glass transition temperature of functionalized graphene epoxy composites using molecular dynamics simulation

References

• K. S. Novoselov, A. K. Geim, S. V. Morozov, D. Jiang, Y. Zhang, S. V. Dubonos, I. V. Grigorieva, and A. A. Firsov Electric field effect in atomically thin carbon films. Science 306, 666–669 (2004).
   PubMed Web of Science ®Google Scholar
• M. J. Allen, V. C. Tung, and B. K. Richard Honeycomb Carbon-A Review of Graphene. Chem. Rev. 110, 132–145 (2010).
   PubMed Web of Science ®Google Scholar
• R. Rahman, and A. Haque Molecular modeling of crosslinked graphene-epoxy nanocomposites for characterization of elastic constants and interfacial properties. Composites: Part B. 54, 353–364 (2013).
   Web of Science ®Google Scholar
• P. Nayebi, and E. Zaminpayma A molecular dynamic simulation study of mechanical properties of graphene–polythiophene composite with Reax force field. Phys letter A 380, 628–633 (2016).
   Web of Science ®Google Scholar
• A. K. Julia, D. R. Klimek, I. Miskioglu, and G. M. Odegard Mechanical Properties of graphene nanoplatelet/epoxy composites. J. Comp. Mat. 49(6), 659–668 (2015).
   Google Scholar
• S. Ebrahimi, A. Montazeri, and H. Rafii-Tabar Molecular dynamics study of the interfacial mechanical properties of the graphene-collagen biological nanocomposite. Comp. Mat. Sci. 69, 29–39 (2013).
   Web of Science ®Google Scholar
• D. Galpaya, M. Wang, M. Liu, N. Motta, E. Waclawik, and C. Yan Recent Advances in Fabrication and Characterization of Graphene-Polymer Nanocomposites. Graphene 1, 30–49 (2012).
   Google Scholar
• S. Patchkovskii, J. S. Tse, S. N. Yurchenko, L. Zhechkov, T. Heine, and G. Seifert Graphene nanostructures as tunable storage media for molecular hydrogen. 102, 10439–10444 (2005).
   Google Scholar
• Q. Xue, L. V. Cheng, M. Shan, H. Zhang, C. Ling, X. Zhou, and Z. Jiao Glass transition temperature of functionalized graphene-polymer composites. Comp. Mat. Sci. 71, 66–71 (2013).
   Web of Science ®Google Scholar
• M. Li, X. Y. Liu, J. Q. Qin, and Y. Gu Molecular dynamics simulation on glass transition temperature of isomeric polyimide. eXPRESS Pol. Letters. 3, 665–675 (2009).
   Web of Science ®Google Scholar
• F. Jeyranpour, G. H. Alahyarizadeh, and B. Arab Comparative Investigation of Thermal and Mechanical Properties of Cross-Linked Epoxy Polymers with different curing agents by Molecular Dynamics Simulation. J. Mol. Grap. Mod. 62, 157–164 (2015).
   PubMed Web of Science ®Google Scholar
• J. Choi, S. Yu, S. Yang, and M. Cho The glass transition and thermoelastic behavior of epoxy-based nanocomposites: A molecular dynamics study. Polymer 52, 5197–5203 (2011).
   Web of Science ®Google Scholar
• F. H. Gojny FH Schulte K: Functionalization effect on the thermo-mechanical behaviour of multi-wall carbon nanotube/epoxy-composites. Comp. Sci. Tech. 64, 2303–2308 (2004).
   Web of Science ®Google Scholar
• K. Menard Dynamic Mechanical Analysis: A Practical Introduction, CRC Press LLC, 2000 N.W. Corporate Blvd., Boca Raton, Florida 33431, U.S.A.; 1999.
   Google Scholar
• K. Sharma, K. S. Kaushalyayan, and M. Shukla Pull-out simulation of interfacial properties of amine functionalized multi-walled carbon nanotube epoxy composites. Comp. Mat. Sci. 99, 232–241 (2015).
   Web of Science ®Google Scholar
• K. Sharma, and M. Shukla Molecular modeling of the mechanical behavior of carbon fiber-amine functionalized multiwall carbon nanotube/epoxy composites. New Carb Mat. 29(2), 132–142 (2014).
   Web of Science ®Google Scholar
• Cheng Lv, Qingzhong Xue, Dan Xia, Ming Ma, Jie Xie, and Huijuan Chen Effect of Chemisorption on the Interfacial Bonding Characteristics of Graphene−Polymer Composites. J. Phys. Chem. C 114(14), 6588–6594 (2010).
   Web of Science ®Google Scholar
• Jie Xie, Qingzhong Xue, Keyou Yan, Huijuan Chen, Dan Xia, and Mingdong Dong Chemical Modification: an Effective Way of Avoiding the Collapse of SWNTs on Al Surface Revealed by Molecular Dynamics Simulations. J. Phys. Chem. C. 113, 14747–14752 (2009).
   Web of Science ®Google Scholar
• J. Shen, W. Huang, L. Wu, Y. Hu, and M. Ye Study on amino-functionalized multiwalled carbon nanotubes. Mat. Sci. and Engg. A 464, 151–156 (2007).
   Web of Science ®Google Scholar
• Accelerys. Materials Studio 5.0 software. In: Accelerys I, UK (ed) Tutorial. 5th ed. San Diego, CA 921212011.
   Google Scholar
• H. Yang, and Ze-Sheng Li Qian Hu-jun, Yang Yong-biao, Zhang Xiu-bin, Sun Chia-chung, Molecular dynamics simulation studies of binary blend miscibility of poly(3 hydroxybutyrate) and poly(ethylene oxide). Polymer 45, 453–457 (2004).
   Web of Science ®Google Scholar
• T. Ramanathan, A. A. Abdala, S. Stankovich, D. A. Dikin, M. Herrera-Alonso, R. D. Piner, D. H. Adamsom, H. C. Schniepp, X. Chen, R. S. Ruoff, S. T. Nguyen, I. A. Aksay, R. K. Prud'homme, and L. C. Brinson Functionalized graphene sheets for polymer nanocomposites. Nat. Nanotechnol. 3, 327–341 (2008).
   PubMed Web of Science ®Google Scholar
• F. Jeyranpour, G. Alahyarizadeh, H. Minuchehr The Thermo-Mechanical Properties estimation of Fullerene-Reinforced Resin Epoxy Composites by Molecular Dynamics Simulation- A Comparative Study. Polymer 88, 9–18 (2016).
   Web of Science ®Google Scholar
• A. Szczygielska, A. Burian, S. Duber, J. C. Dore, and V. Honkimaki Radial distribution function analysis of the graphitization process in carbon materials. J. Alloys Compo. 328, 231–236 (2001).
   Web of Science ®Google Scholar
• C. Wu, and W. Xu Atomistic molecular simulations of structure and dynamics of crosslinked epoxy resin. Polymer 48, 5802–5812 (2007).
   Web of Science ®Google Scholar
• The effect of cross linking density on the mechanical properties and structure of the epoxy polymers: molecular dynamics simulation. J Mol. Model 19(9), 3719–3731 (2013).
   PubMed Web of Science ®Google Scholar