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Non-Equilibrium Molecular Dynamics Approach for Nano-Electro-Mechanical Systems: Nano-Fluidics and Its Applications

[+] Author Affiliations
Changsung Sean Kim

Samsung Electro-Mechanics Company, Ltd.

Paper No. IMECE2005-79628, pp. 641-646; 6 pages
doi:10.1115/IMECE2005-79628
From:
  • ASME 2005 International Mechanical Engineering Congress and Exposition
  • Microelectromechanical Systems
  • Orlando, Florida, USA, November 5 – 11, 2005
  • Conference Sponsors: Microelectromechanical Systems Division
  • ISBN: 0-7918-4224-X | eISBN: 0-7918-3769-6
  • Copyright © 2005 by ASME

abstract

A three-dimensional non-equilibrium molecular dynamics code has been developed and evaluated to provide fundamental understandings of nano-fluidics at molecular level. Intermolecular energy and force between fluid-fluid and fluid-wall particles were all included. 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. At equilibration state, the macroscopic parameters were calculated using the statistical calculation. 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. 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. Nano-jetting mechanism was identified by simulating droplet ejection, breakup, wetting, and drying process in a consequent manner. In addition, conceptual nano/micropumps using electrowetting phenomenon are simulated. The present molecular dynamics approach showed its promising capability for the wide range of NEMS/MEMS applications

Copyright © 2005 by ASME

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