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Nano scale computational fluid dynamics with molecular dynamics pre simulations

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Figure

Figure 2.1: The Lennard-Jones 6-12 potential as described by equation (2.20).
Figure 2.2: A graphical representation of the TIP4P/2005 water molecule.
Figure 2.7: Representations of the different possible time schemes: (a) fully-coupledscheme, (b) CI scheme, (c) HI scheme, (d) CA scheme, and (e) CAI scheme.
Figure 3.1: Schematic of Molecular Dynamics pre-simulation for extracting fluiddynamic properties that are essential inputs to an enhanced CFD solver for nano-scale flows.
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