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Probing Transport Mechanisms in Nanofluids by Molecular Dynamics Simulations

Enhanced thermal conduction in nanofluids is an observed phenomenon for which the underlying mechanistic processes are still being debated. We perform molecular dynamics (MD) simulations of the time-dependent heat current correlation to obtain the systematic, dynamical details at the atomistic level. Using a model system of Xe base fluid and Pt nanoparticles, we obtain the enhancement effects which show qualitatively the same variation with the concentration as the experiments. Our study, which is work in progress, indicate that the interatomic interactions between fluid and the nanoparticle, which can be much stronger than the interaction between fluid particles, as well as nanoparticle interactions, are significant factors in understanding the heat transport mechanisms of nanofluids.