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Molecular dynamics pre simulations for nanoscale computational fluid dynamics

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Figure

Fig. 1 Schematic of MD pre-simulation for extracting fluid dynamic properties that are essential inputs to an enhanced CFD solver for nanoscaleflows
Fig. 2 Data for the LJ fluid properties:(Linstrom and Mallard a pressure variation withdensity, and b viscosity variation with density
Fig. 3 Surface displacement d varying with fluid density q, measuredfrom each MD pre-simulation
Fig. 5 Two-dimensional CFD mesh (top) and MD domain (bottom): Case 1, L ¼ 108:8 nm; Case 2, L ¼ 231:2 nm
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