Chapter 9 - Nanoscale Interfaces in Nanocomposites and Friction Laws

Abstract

This chapter describes the nanoscale interfaces in the carbon nanotube-reinforced nanocomposites. Unique properties and the atomic structure of the polymer–nanotube interfaces are discussed, along with the length scales of interfacial regions. Molecular dynamics (MD) simulations of the atomic structure of interfaces in nanocomposites, interfacial registry barriers, and the pullout process of a carbon nanotube out of a polymer matrix have been carried out. Computational data from MD simulations have been analyzed in order to demonstrate their dependence on the size of a carbon ring and on the atomic structure of the interface. New nanoscale mechanisms associated with the transition between stable states in the semitransient adhesion of the polymer–nanotube interface have been discussed. MD results for the axial velocity of a carbon nanotube have been presented for the case of interfacial sliding through the polymer matrix in nanocomposites. Nanoscale analog of Newton’s friction law for the polymer–nanotube interfaces has been presented, along with a friction model for the carbon nanotube pullout from a polymer matrix. Nanoscale effect of the spatial exclusion of electrons at the interfaces between atomic lattices has been presented. Intrinsic viscosity of the spatially distributed electrons has been evaluated during interfacial sliding of two adjacent atomic lattices. The modified Halpin–Tsai relation has been presented with the nanoscale corrections for the carbon nanotube nanocomposites.