Numerical Simulation of Viscous Flow: A Study of Molecular Dynamics and Computational Fluid Dynamics

Molecular dynamics (MD) and computational fluid dynamics (CFD) allowresearchers to study fluid dynamics from two very different standpoints. From a microscopic standpoint, molecular dynamics uses Newton's second law of motion to simulate the interatomic behavior of individual atoms, using statistical mechanics as a tool for analysis. In contrast, CFD describes the motion of a fluid from a macroscopic level using the transport of mass, momentum, and energy of a system as a model. This thesis investigates both MD and CFD as a viable means of studying viscous flow on a nanometer scale. Specifically, we investigate a pressure-driven Poiseuille flow. The results of the MD simulations are processed using software we created to measure velocity, density, and pressure. The CFD simulations are run on numerical software that implements the MacCormack method for the Navier-Stokes equations. Additionally, the CFD simulations incorporate a local definition of viscosity, which is usually uncharacteristic of this simulation method. Based on the results of the simulations, we point out similarities and differences in the obtained steady-state solutions.

Name thesis:degree_name

Master of Science

Level thesis:degree_level

masters

Discipline thesis:degree_discipline

Electrical and Computer Engineering

Department dc:contributor.department

Electrical and Computer Engineering

Grantor dc:publisher

Virginia Tech

Year dc:date.issued

2007

Author dc:creator

• Fried, Jeremy

Chair dc:contributor.committeechair

• Kachroo, Pushkin

Committee members dc:contributor.committeemember

• Lindner, Douglas K.
• Abbott, A. Lynn

• Poiseuille flow
• finite-difference
• discretization
• molecular dynamics
• Navier-Stokes
• computational fluid dynamics

Statement dc:rights

• In Copyright

Licence dc:rights.uri

• http://rightsstatements.org/vocab/InC/1.0/

Dc Identifier Other

etd-08202007-195746

OAI identifier oai:identifier

oai:vtechworks.lib.vt.edu:10919/34661