Dear all ,
I hope you all are doing well. Recently i wanted to do a pull out simulation on graphene -epoxy reinforced composite. I’ve generated graphene but i don’t know how to generate a cross linked polymer. Can anyone guide me on how to generate a cross-linked polymer .
LAMMPS has commands fix bond/create and fix bond/react. But
you have to know what you are doing to use them. I suggest
you read in the literature about how people build models
of cross-linked polymers, either all-atom or coarse-grained,
either with a builder, or running specialized reactive dynamics,
either with LAMMPS or generally.