Molecular Dynamics Simulation of a Polymer-Metal Interface in LAMMPS

We are currently investigatingthe impact resistance of multilayers using molecular dynamics.This project showed us that modeling material interfaces could be challenging even for someone with a background in atomic simulations. Therefore, we thought of sharing some useful information and the LAMMPS input files to model the aluminum-polyurethane interface (shown above). Please see here:https://github.com/nuwan-d/polymer_metal_interface