A Hierarchical Multiscale Particle Computational Method for Simulation of Nanoscale Flows on 3D Unstructured Grids
Abstract
This research addresses mathematical and computational issues of particle methods for the three-dimensional simulation of flows at the nanoscale. The research addresses also the multi-scale physical phenomena in nanoscale flows that can be found in micro/nano fluidic devices and processes. The developments of an unstructured 3D Direct Simulation Monte Carlo (U3DSMC) method are presented, including a methodology for subsonic boundary conditions as well as the analysis of statistical fluctuations and errors in sample-averaged macroscopic flow properties obtained from U3DSMC simulations. The effects of number of samples, computational particles in a Delaunay cell, and Mach number on statistical fluctuations are investigated for uniform and pressure-driven nanoscale flows. A parametric investigation of supersonic flows into nanochannels examines the effects of Knudsen number, aspect ratio, and freestream Mach number. The computational implementation of a three-dimensional smooth dissipative particle dynamics method is presented along with a new solid-wall boundary condition methodology. Simulations of pressure driven flows show minimal density fluctuations in the proximity of walls and a good agreement with analytical results.
Document Details
- Document Type
- Technical Report
- Publication Date
- Aug 14, 2009
- Accession Number
- ADA505291
Entities
People
- Nikolaos A. Gatsonis
Organizations
- Worcester Polytechnic Institute