Mechanical properties of carbon nanofiber reinforced polymer Composites-Molecular dynamics approach

Abstract

Molecular dynamics simulation has been used to study the effect of carbon nanofiber (CNF) volume fraction (Vf) and aspect ratio (l/d) on mechanical properties of CNF-reinforced polypropylene (PP) composites. Materials Studio 5.5 has been used as a tool for finding the modulus and damping in composites. CNF composition in PP was varied by volume from 0% to 16%. The aspect ratio of CNF was varied from l/d = 5 to l/d = 100. Results show that, with only 2% addition by volume of CNF in PP, E11 increases 748%. Increase in E22 is much less in comparison to the increase in E11. With the increase in the CNF aspect ratio (l/d) up to l/d = 60, the longitudinal loss factor (g11) decreases rapidly. The results of this study have been compared with those available in the literature.