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The assessment of carbon nanotube (CNT) geometry on the mechanical properties of epoxy nanocomposites

The geometric effect of single-walled carbon nanotube (CNT) on mechanical performances of epoxy nanocomposites was investigated under different loading conditions. The reactive force field (ReaxFF) and optimum liquid potential simulator (OPLS) were used in the computational molecular dynamics simulation. The analysis comprises the methodology employed to model the equilibrated structures of CNT/epoxy nanocomposites and characterizes elastic parameters of the structures. The computational results showed that the chirality of the CNTs affects the mechanical performances of the nanocomposites.