Nanotech 2010 Vol. 2
Nanotech 2010 Vol. 2
Nanotechnology 2010: Electronics, Devices, Fabrication, MEMS, Fluidics and Computational

Computational Methods, Simulation & Software Tools Chapter 10

Molecular Dynamics Simulations of Flow over a Nano-cylinder in a Rectangular Nano-channel

Authors: A. Jabbarzadeh

Affilation: The University of Sydney, Australia

Pages: 733 - 736

Keywords: nanofluidics, nano cylinder, molecular dynamics simulation, local phenomenon

Abstract:
This paper reports the molecular dynamics simulation results obtained for flow in a rectangular nano-channel of liquid alkanes around a nano-cylinder. The channel and cylinder have an explicit atomic structure and the liquid alkane (paraffin) is modeled by united atoms (UA). The boundary conditions are not set as a priori and it is allowed to develop as the simulation goes on. The binning technique used to produce the local properties is analogues to meshing in discretizing schemes of continuum models. This method provides a powerful tool for studying local phenomenon in the nano-scale.

Molecular Dynamics Simulations of Flow over a Nano-cylinder in a Rectangular Nano-channel

ISBN: 978-1-4398-3402-2
Pages: 862
Hardcopy: $189.95