Abstract: Interfacial microcosmic structure and interfacial interaction in majority of engineering nanocomposites are difficult to measure experimentally,since many nanocomposites are usually insoluble in solvents,and are sometimes poorly characterized.Therefore,applying molecular modeling strategies would be helpful in such situations in order to provide useful information,which would be difficult to get by other methods.Poly（methyl methacrylate）/Graphite nanosheets（PMMA/NanoG）,is a electrically conducting composite has been extensively investigated in the past few decades.Therefore,we have selected PMMA/NanoG to perform the molecular dynamics simulations to investigate its interfacial microcosmic structure and interfacial interaction.The COMPASS force field methodology was used in the study for polymers and non-polymer that are closely agreeable with the experimental data.Molecular dynamics（MD） simulations have also been performed to explore the polymers with several non-metallic materials,because such studies are important in developing polymer nanocomposites.In the article we compute these nanocomposites to investigated the interfacial microcosmic structure and their stabilization,also,we study the interfacial interactions to interpret the PMMA and graphite nanosheets how to interact.