Abstract
Three-dimensional Molecular Dynamics (MD) simulations of heat and momentum transport in liquid Argon filled shear-driven nano-channels are performed using 6–12 Lennard–Jones potential interactions. Work done by the viscous stresses heats the fluid, which is dissipated through the channel walls, maintained at isothermal conditions through a recently developed interactive thermal wall model. Shear driven nano-flows for weak wetting surfaces (ε wf /ε ≤ 0.6) are investigated. Spatial variations in the fluid density, kinematic viscosity, shear- and energy dissipation rates are presented. Temperature profiles in the nano-channel are obtained as a function of the surface wettability, shear rate and the intermolecular stiffness of wall molecules. The energy dissipation rate is almost a constant for ε wf /ε ≤ 0.6, which results in parabolic temperature profiles in the domain with temperature jumps due to the well known Kapitza resistance at the liquid/solid interfaces. Using the energy dissipation rates predicted by MD simulations and the continuum energy equation subjected to the temperature jump boundary conditions developed in [Kim et al. Journal of Chemical Physics, 129, 174701, 2008b], we obtain analytical solutions for the temperature profiles, which agree well with the MD results.
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Kim, B.H., Beskok, A. & Cagin, T. Viscous heating in nanoscale shear driven liquid flows. Microfluid Nanofluid 9, 31–40 (2010). https://doi.org/10.1007/s10404-009-0515-5
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DOI: https://doi.org/10.1007/s10404-009-0515-5