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Carbon nanotube (CNT) embedded in a polymer melt composed of polystyrene with LAMMPS
Carbon nanotube (CNT) embedded in a polymer melt composed of polystyrene with LAMMPS

The goal of this tutorial is to create a model of a carbon nanotube (CNT) embedded in a polymer melt composed of polystyrene (PS). The REACTER protocol is used to simulate the polymerization of styrene monomers, and the polymerization reaction is tracked over time :cite:`gissinger2017polymer, gissinger2020reacter, gissinger2024molecular`. In contrast to AIREBO :ref:`carbon-nanotube-label` and ReaxFF :ref:`reactive-silicon-dioxide-label`, the REACTER protocol relies on the use of a classical force field.