Potential energy and atomic stability of H2O/CuO nanoparticles flow and heat transfer in non-ideal microchannel via molecular dynamic approach: the Green–Kubo method

Abstract

It is interesting to investigate the number of nanoparticle (NP) and temperature effects on H2O/CuO nanofluid thermal conductivity and the atomic manner in a non-ideal microchannel. The outcomes of the physical features of these structures were supposed using molecular dynamic (MD) method and LAMMPS simulation package. For the study of dynamic properties of nanofluid microchannel system, parameters such as temperature profiles, velocity, density, and potential energy of H2O/CuO atomic structures were calculated. Furthermore, the thermal conductivity of these structures was estimated by the Green–Kubo method in the final step. This simulation shows that nanoparticle number is a crucial parameter in nanofluid movement in a microchannel. Theoretically, via adding CuO nanoparticle to H2O fluid, the maximum rate of velocity, density, temperature, and thermal conductivity of base fluid increases to 0.106 g cm−3, 29.810 A ps−1, 549.217 K, and 0.81 W mK−1 rates, respectively. Moreover, the temperature increase of Cu microchannel increases the rate of density, velocity, temperature, and thermal conductivity of CuO nanofluids.