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چکیده
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Herein, the interfacial properties of new three-dimensional (3D) configurations of metallic carbon,namely T6 and T14, incorporated to different polymer matrices (T6 and T14@polymers) are studied usingmolecular dynamics (MD) simulations. The effects of two types of shape models for T6 and T14, i.e.beam- and plate-like models, various square cross-sectional areas for the reinforcements, pull-out ve-locity and polymer structure on the interaction energy and pull-out force offinal system are investigated.The results reveal that the interfacial resistance of the system is improved by imposing a high pull-outvelocity to the nanofillers. For each pull-out velocity, the effect of beam-like T6 and T14@polycarbonate(beam-like T6 and T14@PC) on increasing average pull-out force is more remarkable than that of similarmodels surrounded by polypropylene (PP). The beam- and plate-like structures@polymers possess thelowest and highest interfacial resistance, respectively. As the aspect ratio (length-to-width ratio) ofnanofillers changes from the lowest value to the highest one, the average pull-out force decreases. Theaverage pull-out force of plate-like T6@polymers is higher than their plate-like T14 counterparts. Besides,higher absolute values of interaction energy in plate-like T6 and T14@polymers in comparison withothers imply that the load-carrying capacity from the surrounding matrix to the plate-like nanofillers issignificantly increased.
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