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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 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:

Image icon al_pu_system.JPG59.61 KB


Thanks for sharing!

Nuwan Dewapriya's picture

My pleasure. I have shared 2 other MD models here:

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