RT journal article T1 Probing the thermal resistance of solid-liquid interfaces in nanofluids with molecular dynamics A1 Carrillo Berdugo, Iván A1 Navas Pineda, Francisco Javier A1 Grau-Crespo, R. A2 Química Física K1 Nanofluids K1 Interfacial thermal resistance K1 Solid-liquid interface K1 Thermal conductivity K1 Density functional theory K1 Molecular dynamics AB The significance of interfacial thermal resistance in the thermal conductivity of nanofluids is not well understood, in part because of the absence of measurements of this quantity. Here, we study the interfacial thermal resistance for metal-oil nanofluids of interest as heat transfer fluids for concentrating solar power, using density functional theory and molecular dynamics simulations. Insights on the role of chemical interactions in determining the interfacial thermal resistance are revealed. The results presented here showcase a general picture in which the stronger the chemical interactions between species at the interface, the lower the associated interfacial thermal resistance. The implications toward nanofluid design are discussed. We show that, for this important family of metal-oil nanofluids, the interfacial thermal resistance values are low enough so that it is possible to afford a reduction in particle size, minimizing stability and rheological issues while still offering enhancement in the effective thermal conductivity with respect to the base fluid. PB American Institute of Physics SN 1089-7690 YR 2024 FD 2024 LK http://hdl.handle.net/10498/32761 UL http://hdl.handle.net/10498/32761 LA eng DS Repositorio Institucional de la Universidad de Cádiz RD 10-nov-2026