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- W2022356064 abstract "Using recently-developed fluid state controllers [1], we apply continuum fluid boundary conditions to molecular dynamics (MD) simulations of liquid argon flow past a carbon nanotube (CNT) and through a CNT membrane. Advantages of this method are that: it is not dependent on periodic boundary conditions; it can accurately generate fluid transport without any geometrical constraints; and it is capable of performing as an essential part of a hybrid continuum/atomistic technique. In our simulations, a pressure gradient is applied across a CNT membrane by controlling the densities of two reservoirs located either side of the membrane. Fluid velocity and density distributions are reported and compared to other published data where possible." @default.
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- W2022356064 date "2010-01-01" @default.
- W2022356064 modified "2023-09-27" @default.
- W2022356064 title "Molecular Dynamics Simulations of Liquid Flow in and Around Carbon Nanotubes" @default.
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- W2022356064 doi "https://doi.org/10.1115/fedsm-icnmm2010-30360" @default.
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