Effect of Adding Boron Nitride Nanotubes on Mechanical Properties of Epoxy 862 Nanocomposite

Abstract

Mechanical properties of Epoxy/Boron Nitride Nanotubes (BNNTs) nanocomposite was predicted using Molecular Dynamic (MD) simulations. Four different structures were constructed where the bonding between BNNTs and epoxy molecules was altered. The structures were subjected to energy minimization and geometry optimization. MD simulations were then conducted on epoxy/BNNTs using ensemble NPT (fixed number of atoms, pressure and temperature) and the Young’s modulus of the structures were obtained. MD simulations results show that by introducing bonding between BNNTs and epoxy molecules, the Young’s modulus increases. Also, the changes in density reveal that increasing the number of bonds between epoxy molecules and BNNTs from 2 to 4 results in a more compact structure.