Estimation of interfacial properties of nanocomposites using an analytical interphase model

In this study, an analytical interphase model is proposed to estimate the interfacial properties between a polymer matrix and carbon nanotubes (CNTs). A molecular dynamics (MD) simulation was performed to obtain the interaction energy and the geometrical parameters of the interphase. The CNTs had the different embedded surface area and functional groups. The interfacial shear strength and critical pull out force were estimated by using an analytical interphase model. The interfacial properties estimated by the proposed interphase model matched the results of the pull out test closely. The changes in the interaction energy and inter thickness introduced by the functionalization of CNTs improved the interfacial properties. These results show that the proposed assumptions were effective and the proposed interphase model using a MD simulation was useful for estimating the interfacial properties of nanocomposites.