Investigation of different nanoparticles properties on the thermal conductivity and viscosity of nanofluids by molecular dynamics simulation

Abstract The mechanisms of thermal conductivity enhancement and the factors influencing viscosity are great interest in study nanofluids, while molecular dynamics (MD) simulations considering nanofluids provide more accurate predictions microscopic properties than conventional experimental studies. MD non-equilibrium reversing perturbation methods were used to viscosity, taking into account a variety factors, as well nanoparticle material volume fraction. Through analysis number density distribution, radial distribution function (RDF), mean square displacement (MSD), influences different nanoparticles (Ag, Cu, Au, Fe) described investigated: Ag particles contribute 47.0% increase 2.5 vol% nanofluids; Au improved by 20.2%; showed positive linear relationship with atomic mass; results MSD RDF (mean function) combination indicated effect interfacial nanolayer. this research important perspectives for comprehending impacts multiple on micro-thermal also highlight simulation potential Au–Ar nanofluids.