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In current study we combined theoretical and experimental studies to evaluate the effect of functionalization and silanization on mechanical behavior of polymer-based/CNT nanocomposites. Epoxy was selected as thermoset polymer, polypropylene and poly vinyl chloride were selected as thermoplastic polymers. The whole procedure is divided to two sections . At first we applied density functional theory...
In the current study, molecular dynamics (MD) simulations were employed for investigating the influence of interlayer distance, diameter, chirality and temperature on mechanical specifications of single and double-walled silicon carbide nanotubes (SiCNTs). Large-Scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) and Visual Molecular Dynamics (VMD) visualizer were applied to evaluate the...
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