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.
Journal: TechConnect Briefs
Volume: 2, Nanotechnology 2010: Electronics, Devices, Fabrication, MEMS, Fluidics and Computational
Published: June 21, 2010
Pages: 733 - 736
Industry sectors: Advanced Materials & Manufacturing | Sensors, MEMS, Electronics
Topic: Informatics, Modeling & Simulation