Abstract
Achieving a higher heat transfer in nanofluids is one of the most important scientific challenges in order to reach a better efficiency in several sectors of technology. Here, the thermal conductivity enhancement of nanofluids composed of rod-shaped gold nanoparticles (AuNPs) compared to that of nanofluids with spherical-shaped AuNPs has been investigated by means of Equilibrium Molecular Dynamics (EMD) simulations combined with the hybrid pair potential option in a LAMMPS software which incorporate the Embedded-Atom-Method (EAM) potential and the 12–6 Lennard-Jones (LJ) one. The EAM potential was used to describe solid-solid interatomic interactions, while the interactions solid-liquid and liquid-liquid were modeled by employing the LJ potential. The simulation results illustrated that the suspension of the rod AuNP in base fluids is more effective in improving the effective thermal conductivity of nanofluids than that of the spherical AuNP. Mechanisms behind this finding are discussed using the Mean-Square-Displacement (MSD) and Radial-Distribution-Function (RDF). Several parameters like NP surface effect, solid-liquid interface and the enhanced mobility of liquid atoms in nanofluids were considered to explain the results.
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