Perpustakaan Digital ITB

In this paper, we present classical molecular dynamics (MD) simulations of model polymer/CNT composites constructed by embedding a single wall (10,10) CNT into two different amorphous polymer matrices: poly(methyl methacrylate) and poly{(m-phenylene-vinylene)-co- [(2,5-dioctoxy-p-phenylene) vinylene]}, respectively, with different volume fractions. The simula- tion results support the idea that it is possible to use CNTs to mechanically reinforce an appropri- ate polymer matrix, especially in the longitudinal direction of the nanotube. The comparison of the simulation results with the macroscopic rule-of-mixtures for composite systems showed that for strong interfacial interactions, there can be large deviations of the results from the rule-of- mixtures. In order to verify this study, results obtained have been compared with those given by Elliott and Han (2007).