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Non-Equilibrium Molecular Dynamics Approach for Nano-Fluidics and Its Applications

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1 Author(s)
Kim, C.S. ; Samsung Electro-Mech. Co. Ltd., Suwon

A non-equilibrium molecular dynamics code has been developed and evaluated to provide fundamental understandings of nano-fluidics at molecular level. Molecular dynamics results were verified by simulating both homogeneous and heterogeneous flows in a nano-tube and then compared with the classical Navier-Stokes solution with non-slip wall boundary conditions. Liquid argon fluids within platinum walls were simulated for a homogeneous system. Also positively charged particles are mixed with water-like solvent particles to investigate the non-Newtonian behavior of the heterogeneous fluid. Nano-jetting mechanism was identified by simulating droplet ejection, breakup, wetting, and drying process in a consequent manner. For an electrowetting phenomenon, a positive charged droplet moving on the negative charged ultra thin film was successfully simulated and compared with a macroscopic experiment. Molecular dynamics simulations for conceptual nano/micropumps based on electrowetting phenomenon are also performed.

Published in:

Nano/Micro Engineered and Molecular Systems, 2007. NEMS '07. 2nd IEEE International Conference on

Date of Conference:

16-19 Jan. 2007