Evaluation of the mechanical properties of carbon fiber/polymer resin interfaces by molecular simulation

References

• Koyanagi J, Kotani M, Hatta H, et al. A comprehensive model for determining tensile strengths of various unidirectional composites. J Compos Mater. 2009;43:1901–1914.
   Web of Science ®Google Scholar
• Kitamura R, Kageyama T, Koyanagi J, et al. Estimation of biaxial tensile and compression behavior of polypropylene using molecular dynamics simulation. Adv Compos Mater. In Press;28:135–146.
   Web of Science ®Google Scholar
• Koyanagi J, Takeguchi K, Murai K, et al. Monte Carlo simulations for blue-phase structure in liquid crystals. Mol Cryst Liq Cryst. 2017;656:54–65.
   Web of Science ®Google Scholar
• Niuchi T, Koyanagi J, Inoue R, et al. Molecular dynamics study of the interfacial strength between carbon fiber and phenolic resin. Adv Compos Mater. 2017;26:569–581.
   Web of Science ®Google Scholar
• Oya Y, Inuyama K, Okabe T, et al. Analysis of structure characteristics in laminated graphene oxide nanocomposites using molecular dynamics simulation. Adv Compos Mater. 2018;27:427–438.
   Web of Science ®Google Scholar
• Eslami H, Behrouz M. Molecular dynamics simulation of a polyamide-66/carbon nanotube nanocomposite. J Phys Chem C. 2014;118:9841–9851.
   Web of Science ®Google Scholar
• Lee S, Lyulin A, Frank C, et al. Interface characteristics of polystyrene melts in free-standing thin films and on graphite surface from molecular dynamics simulations. Polymer. 2017;116:540–548.
   Web of Science ®Google Scholar
• Shin J, Chen C, Huang T, et al. Investigation of the structural and mechanical properties of polypropylene-based carbon fiber nanocomposites by experimental measurement and molecular dynamics simulation. Comput Mater Sci. 2015;115:2016.
   Web of Science ®Google Scholar
• Salahshoor H, Rahbar N. Nano-scale fracture toughness and behavior of graphene/epoxy interface. J Appl Phys. 2012;112:023510.
   Web of Science ®Google Scholar
• Jang C, Lacy T, Gwaltney S, et al. Interfacial shear strength of cured vinyl ester resin-graphite nanoplatelet from molecular dynamics simulations. Polymer. 2013;54:3282–3289.
   Web of Science ®Google Scholar
• Hadden C, MacDonald D, Pineda E, et al. Mechanical properties of graphene nanoplatelet/carbon fiber/epoxy hybrid composites: multiscale modeling and experiments. Proceedings of 20th International Conference on Composite Materials; 2015;95:100–112.
   Google Scholar
• Zhang Y, Zhuang X, Muthu J, et al. Load transfer of graphene/carbon nanotube/polyethylene hybrid nanocomposite by molecular dynamics simulation. Compos Part B. 2014;63:27–33.
   Web of Science ®Google Scholar
• Awasthi A, Lagoudas D, Hammerand D. Modeling of graphene–polymer interfacial mechanical behavior using molecular dynamics. Model Simul Mat Sci Eng. 2009;17:015002.
   Web of Science ®Google Scholar
• Park C, Yun G. Characterization of interfacial properties of graphenereinforced polymer. nanocomposites by molecular dynamics-shear deformation model. J Appl Mech. 2018;85:091007.
   Web of Science ®Google Scholar
• Azimi M, Mirjavadi S, Hamouda S, et al. Heterogeneities in polymer structural and dynamic properties in graphene and graphene oxide nanocomposites: molecular dynamics simulations. Macromol Theory Simul. 2017;26:1600086.
   Web of Science ®Google Scholar
• Lv C, Xue Q, Xia D, et al. Effect of chemisorption on the interfacial bonding characteristics of graphene-polymer composites. Am Chem Soc. 2010;114:6588–6594.
   Google Scholar
• Alian A, Meguid S. Molecular dynamics simulations of the effect of waviness and agglomeration of CNTs on interface strength of thermoset nanocomposites. Royal Soc Chem. 2017;19:4426–4434.
   Google Scholar
• Bacova P, Rissanou A, Harmandaris V. Edge-functionalized graphene as a nanofiller: molecular dynamics simulation study. Am Chem Soc. 2015;48:9024–9038.
   Google Scholar
• Fang M, Wang K, Lu H, et al. Covalent polymer functionalization of graphene nanosheets and mechanical properties of composites. J Mater Chem. 2009;19:7098–7105.
   Web of Science ®Google Scholar
• Melro I, Jensen I. Influence of functionalization on the structural and mechanical properties of graphene. Tech Science Press. 2017;53:109–127.
   Google Scholar
• Semoto T, Tsuji Y, Tanaka H, et al. Role of edge oxygen atoms on the adhesive interaction between carbon fiber epoxy resin. J Phys Chem C. 2013;117:24830–24835.
   Web of Science ®Google Scholar
• Yoshizawa K, Semoto T, Hitaoka S, et al. Synergy of electrostatic and van der waals interactions in the adhesion of epoxy resin with carbon-fiber and glass surfaces. Bull Chem Soc Jpn. 2017;90:500–505.
   Web of Science ®Google Scholar
• Rissanou A, Power A, Harmandaris V. Structural and dynamical properties of polyethylene/graphene nanocomposites through molecular dynamics simulations. Polymers. 2015;7:390–417.
   Web of Science ®Google Scholar
• Rahman R, Haque A. Molecular modeling of crosslinked graphene–epoxy nanocomposites for characterization of elastic constants and interfacial properties. Compos Part B. 2013;54:353–364.
   Web of Science ®Google Scholar
• Namsani S, Singh J. Enhancement of thermal energy transport across the gold− graphene. interface using nanoscale defects: a molecular dynamics study. Am Chem Soc. 2018;122:2113–2121.
   Google Scholar
• Daoulas K, Harmandaris V, Mavrantzas V. Detailed atomistic simulation of a polymer melt/solid interface: structure, density, and conformation of a thin film of polyethylene melt adsorbed on graphite. ACS Publications. 2005;38:5780–5795.
   Google Scholar
• Rissanou A, Harmandaris V. Springer Science+Business Media Dordrecht, Structure and dynamics of poly(methyl methacrylate)/graphene systems through atomistic molecular dynamics simulations. Journal of Nanoparticle Research. 2013;15:1589.
   Google Scholar
• Sheikhnejad O, Nakamoto T, Kalteis A, et al. Molecular dynamic simulation of carbon nanotube reinforced nanocomposites: the effect of interface interaction on mechanical properties. MOJ Polym Sci. 2018;2:6–10.
   Google Scholar
• Gao Y, Plathe M. Effect of grafted chains on the heat transfer between carbon nanotubes in a polyamide-6.6 matrix: a molecular dynamics study. Polymer. 2017;129:228–234.
   Web of Science ®Google Scholar
• Liu F, Liu X, Hu N, et al. Investigation of thermal energy transport interface of hybrid. graphene-carbon nanotube/polyethylene nanocomposites. Scientific Reports. 2017;14700. doi:10.1038/s41598-017-14710-4
   Google Scholar
• Li Y, Wang S, Wang Q, et al. Molecular dynamics simulations of tribology properties of NBR (Nitrile-Butadiene Rubber)/carbon nanotube composites. Compos Part B. 2016;97:62–67.
   Web of Science ®Google Scholar
• Sato M, Koyanagi J, Lu X, et al. Temperature dependence of interfacial strength of carbon-fiber-reinforced temperature-resistant polymer composites. Compos Struct. 2018;202:283–289.
   Web of Science ®Google Scholar
• Sato M, Imai E, Koyanagi J, et al. Evaluation of the interfacial strength of carbon-fiber-reinforced temperature resistant polymer composites by the micro-droplet test. Adv Compos Mater. 2017;26:465–476.
   Web of Science ®Google Scholar
• Miyauchi M, Ishida Y, Ogasawara T, et al. Highly soluble phenylethynyl-terminated imide oligomers based on KAPTON-type backbone structures forcarbon fiber-reinforced composites with high heat resistance. Polym J. 2013;45:594–600.
   Web of Science ®Google Scholar
• https://exabyte.io/
   Google Scholar
• McGaughey GB, Gagné M, Rappé AK. pi-Stacking interactions. Alive and well in proteins. J Biol Chem. 1998;273(25):15458–15463.
   PubMed Web of Science ®Google Scholar