In this study, the fullerenes have been inserted into water base-fluid to investigate the atomic and thermal behavior of nanofluid and hybridnanofluid as heat transfer fluid. This choice derives from low cast and high thermal stability of this nanostructure. Our computational results from Molecular Dynamics (MD) simulations indicate that the addition of nanoparticles with 4% atomic ratio produced an appreciable effect on the nanofluid. The maximum value of density, velocity, and temperature profile have reached to 0.029 atom/cubic angstrom, 0.005 angstrom/ps, and 321 centigrade degree. Its thermal conductivity would increase to 0.82 W/m.K. Heat flux reached to 2019 kW/m2 after t= 10 ns. Also, the aggregation phenomenon detected after t= 5.84 ns. This hybridnanofluid has been used to enhance the energy efficiency of the heat exchangers at high temperature for the nuclear industry applications for the first time. Numerically, by the temperature increase of nanofluid structure to 625.15 K, thermal power of nanofluid reached to 3881 MW. The thermal performance of hybridnanofluid can be improved by more than 30% by adding concentration of fullerene and doped fullerene at 4 vol%. پرونده مقاله