Investigation on CNT/alumina interface properties using molecular mechanics simulations

The pull-out of a carbon nanotube (CNT) from an alumina (α-Al2O3) matrix was investigated using molecular mechanics simulations to study the interfacial properties due to van der Waals and electrostatic Coulombic interactions. The pull-out force of the CNT was found to be proportional to its diameter, but independent of its length and alumina grain boundary type. A theory was proposed to predict the force for an arbitrary pull-out of a CNT from the alumina matrix using the outermost wall diameter of CNT.