Simulation study on the effects of the self-assembly of nanoparticles on thermal conductivity of nanofluids

[Display omitted] •The formation of aggregates positively affected the thermal conductivity.•The increase in the distance between the nanoparticles and the solvent negatively affected the thermal conductivity.•Their balance can be considered as an important mechanism that influences the thermal conductivity of a nanofluid. The mechanisms underlying the thermal conductivity behavior of nanofluids have not been completely clarified thus far. This is due to the various competing factors and the lack of a molecular-level understanding of the heat transfer enhancement of nanofluids. In this study, energy-conserving dissipative particle dynamics simulations were conducted to investigate the effects of the self-assembly of nanoparticles (NPs) on the nanoscale heat transfer properties. We demonstrated that considering the balance between the effects of the distance between the NPs and the solvent and the enhancement in thermal conductivity on adding NPs is important for controlling the thermal conductivity of nanofluids.