The piston is one of the main components of an internal combustion engine. The objective of this study to find suitable materials for the piston head to give more performance as compare to traditional materials. It is concluded that at some literatures the piston is required to optimum parameter like its geometric volume by regulating stresses, temperature and pressure arrived in piston and the objective of the study to apply coating of materials in piton assembly. In this study to improve the thermal performance of the piston different Thermal Barrier Coatings (TBC) have been imposed and their thermo mechanical performance have been evaluated through software tool. Many data have been generated regarding different dimensions of coatings with different material properties. These data may be used in further research to optimize material property and dimensions of Thermal Barrier Coating.