A molecular dynamics simulation study to investigate the effect of filler size on elastic properties of polymer nanocomposites

By A. Adnan, Chin-teh Sun, H. Mahfuz. 2007

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Characterizing and Modeling Mechanical Properties of Nanocomposites-Review and Evaluation (2010, methodology): “It is observed that for some nanocomposites, with the same filler volume fraction, the stiffness and strength increases as the particle size decreases [125,182, 224-227].”
Characterizing mechanical properties of graphite using molecular dynamics simulation (2009, methodology): “Because this approach is commonly employed in MD simulation to determine the Young’s modulus of atomistic structures [21–23], it was utilized to verify the results presented in the previous section.”
Characterizing elastic properties of carbon nanotubes/polyimide nanocomposites using multi-scale simulation (2010, unknown): “During the process, the CNT atoms were frozen, which designates that the carbon atoms on CNTs were fixed at their original position throughout the whole simulation [23].”