PVA.zip contains the simulation results of Pure PVA polymer, such as mechanical properties, CED, and Confined shear. CNT.zip contains the results of CNT-PVA composites model, such as mechanical properties, CED, and Confined shear. GNCNT.zip contains the results of GN+CNT/PVA composites model. GN.zip contains the results of GN/PVA composites model. LAMMPS.zip contains the stress-strain results of four models and their code. The .data files are transformed from .car files exported from the MS model above.