Molecular Dynamics Simulations of Couette flow

Martín Bautista, Juan A. and Meneghini, Julio and Theofilis, Vassilios (2013). Molecular Dynamics Simulations of Couette flow. In: "International Conference on “Instability and Control of Massively Separated Flows”", 04/09/2013 - 06/09/2013, Prato, Italy. pp. 250-255.

Description

Title: Molecular Dynamics Simulations of Couette flow
Author/s:
  • Martín Bautista, Juan A.
  • Meneghini, Julio
  • Theofilis, Vassilios
Item Type: Presentation at Congress or Conference (Article)
Event Title: International Conference on “Instability and Control of Massively Separated Flows”
Event Dates: 04/09/2013 - 06/09/2013
Event Location: Prato, Italy
Title of Book: Proceedings
Date: 4 September 2013
Subjects:
Faculty: E.T.S.I. Aeronáuticos (UPM)
Department: Fundamentos Matemáticos de la Tecnología Aeronáutica [hasta 2014]
Creative Commons Licenses: Recognition - No derivative works - Non commercial

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Abstract

The first steps towards developing a continuum-molecular coupled simulations techniques are presented, for the purpose of computing macroscopic systems of confined fluids. The idea is to compute the interface wall-fluid by Molecular Dynamics simulations, where Lennard-Jones potential (and others) have been employed for the molecular interactions, so the usual non slip boundary condition is not specified. Instead, a shear rate can be imposed at the wall, which allows to obtain the properties of the wall material by means of an iterative method. The remaining fluid region will be computed by a spectral hp method. We present MD simulations of a Couette flow, and the results of the developed boundary conditions from the wall fluid interaction.

More information

Item ID: 29950
DC Identifier: http://oa.upm.es/29950/
OAI Identifier: oai:oa.upm.es:29950
Official URL: http://monash.edu/news/events/show/international-conference-on-instability-and-control-of-massively
Deposited by: Memoria Investigacion
Deposited on: 05 Aug 2014 16:38
Last Modified: 22 Apr 2016 00:17
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