Molecular dynamics study of thermal properties of nanofluids composed of one-dimensional (1-D) network of interconnected gold nanoparticles

摘要

In this Letter, Equilibrium Molecular Dynamics (EMD) simulations were used to investigate the nanoparticle volume fraction-dependent thermal conductivity of nanofluids composed of one-dimensional (1-D) network of interconnected gold nanoparticles (IAuNPs) within the Green–Kubo formula. Thermal conductivities of nanofluids containing spherical AuNPs were also studied for comparison. The results showed that the 1D network shape of IAuNPs improves the nanofluid thermal conductivity better than the spherical shape of AuNP. The mechanism responsible for this finding is discussed using the Mean-Square-Displacement (MSD) analysis and the Radial-Distribution-Function (RDF).