Review Report for Polymer-CNT Composites_Zhongqiang Zhang_May29.2008.ppt

Review Report:MD Simulations for the Interface between Polymer and Carbon Nanotubes Zhongqiang ZHANG May 29, 2008 Abstract Whether the chemical bond exist at the interface? Previous studies on a number of CNT-reinforced polymer systems showed that chemical bonding may or may not exist between CNT and the polymer matrix [13]. Experiment: From infrared transmission spectra, Jia et al. [14] concluded that C-C bonding exists between a CNT/ polymer system. However, using Raman scattering and x-ray diffraction, Chang et al. [15] showed that there is no chemical bonding between CNT and the polypyrrole matrix. MD simulations: (Ⅰ) Mechanical Properties of Polymer-CNT Composites (Ⅱ) CNT Pull-out from Polymer (Ⅰ) Mechanical Properties of Polymer-CNT Composites S. J. V. Frankland et al. [5] studied the stress-strain behavior of polymer nanotube composites from molecular dynamics simulation (MD). Interface: The van der Waals interfacial interaction between the polymer and the NT was modeled with the Lennard–Jones potential. Michael Griebel et al. [6] calculated the elastic moduli of polymer-carbon nanotube composites using MD. Interface: Lennard–Jones potential. (Ⅰ) Mechanical Properties of Polymer-CNT Composites Yue Han et al. [7] studied the the elastic properties of polymer-carbon nanotube composites from MD. Interface: Non-bonded LJ potential. The same with Ref [12]. (Energy approach) (d) Ashfaq Adnan et al. [8] investigated the effect of filler size on elastic properties of polymer nanocomposites using MD. Interface: Lennard–Jones potential. (e) A. Pantano et al. [10] investigated the effects of carbon nanotube curvature and interface interaction with the matrix on the composite stiffness using micromechanical analysis. In particular, the effects of poor bonding and thus poor shear lag load transfer to the carbon nanotubes are studied. (Ⅱ) CNT Pull-out f