**4. Conclusions**

After all earlier studies, it can be concluded that the development of new technologies are giving a new attention on to investigate nanoscale phenomena (including nanoscale heat transfer). Therefore, MD simulation is the only nanoscale tool to investigate the enhancement of thermal properties of graphene-reinforced nanocomposites for heat exchanger material. Based on the current simulation results, it is found that graphene-reinforced TPU nanocomposites demonstrate higher moduli, higher glass transition temperature, and lower values of CTE than pure TPU, that is, without reinforcements. This provides useful information to understand the nanoheat transport behaviors within TPU nanocomposites for the future development of thermal nanodevice. By taking advantage of low-cost simulations to establish material designs, overall materials development costs can be dramatically reduced, and development times can be expedited.
