This file includes the LAMMPS data files used in all the simulations in the paper.
The force field used in the simulation is AMBER. Three different configurations are provided.
MLG1_80%.data MLG2_80%.data MLG3_80%.data are the data file for multilayers graphene--epoxy interface. The epoxies are in 80% conversion.
SLG1_80%.data SLG2_80%.data SLG3_80%.data are the data file for singlelayer graphene--epoxy interface. The epoxies are in 80% conversion.
MLGO1_80%.data MLGO2_80%.data MLGO3_80%.data are the data file for multilayers graphene oxide--epoxy interface. The epoxies are in 80% conversion.

The sizeeffect folder include the data files to study the size effect of the interface system.
the 80x80, 100x100, 120x120 in the file names represent the size of the graphene. Unit in angstrom.