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Molecular Dynamics Simulation of a Polymer-Metal Interface in LAMMPS

Nuwan Dewapriya's picture

We are currently investigating the impact resistance of multilayers using molecular dynamics. This project showed us that modelling 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. Please see here: https://github.com/nuwan-d/polymer_metal_interface

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