The application of simulant material to study the nuclear severe accident scenarios is the key parameter to mitigate the severe accident phenomena. In this context, one should know the nature of selected simulant material with optimized parameters that have a greater responsibility to terminate and stabilize the heat transfer during a severe accident in nuclear reactors. Hence, the material can conduct heat across it within a short period and transfer to the coolant used for quenching the melt pool. From this point of view, the analysis of parameters such as compositions, temperatures, time, specific heat, and quenching methodology is necessary for the validation of simulant material because these parameters play an important role in melt coolability. The melt pool behavior strongly depends upon density, thermal conductivity, specific heat, and thermal diffusivity. In this regard, current simulant material CaO-Fe2O3 has been chosen and optimized based on the properties and physical parameters in comparison to other simulant materials which can give better thermal stability at high temperature.