Microtech2010 2010

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

A. Jabbarzadeh
The University of Sydney, AU

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.
 
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