Multiscale MD/LBM simulations of flow in complex nano/micro channels

D. D. Marsh, Surya Pratap Vanka

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

This paper examines the fluid behavior in micro and nano sized channels by using a coupled Molecular Dynamics and Lattice Boltzmann solution method, implemented in a novel fashion on a Graphics Processor. Molecular Dynamics is well known for its ability to resolve phenomena in the near wall regions, where continuum assumptions are no longer valid, at the expense of computational power. Lattice Boltzmann is a mesoscale continuum-description solver that is very efficient and reduces to the Navier-Stokes equations, thereby being a logical choice to solve regions further from the wall. This method is parallelized to be run on the Graphics Processor, using NVIDIA's CUDA programming language. Individually, Lattice Boltzmann methods are approximately 70x faster on the GPU than a modern CPU, Molecular Dynamics is about 5x faster. Higher resolutions are able to be simulated than previously performed due to the efficiency of this implementation. We analyze the results of straight channel Poiseuille flow using the hybrid solver and note the continuum breakdown is successfully predicted by the hybrid code in the form of density oscillations near the wall along with velocity slip conditions. Streamlines, contours and velocity profiles are utilized to illustrate these points. Future work includes expanding this solver's capability to handle complex boundaries.

Original languageEnglish (US)
Title of host publicationASME 2010 International Mechanical Engineering Congress and Exposition, IMECE 2010
Pages735-742
Number of pages8
DOIs
StatePublished - Dec 1 2010
EventASME 2010 International Mechanical Engineering Congress and Exposition, IMECE 2010 - Vancouver, BC, Canada
Duration: Nov 12 2010Nov 18 2010

Publication series

NameASME International Mechanical Engineering Congress and Exposition, Proceedings (IMECE)
Volume10

Other

OtherASME 2010 International Mechanical Engineering Congress and Exposition, IMECE 2010
CountryCanada
CityVancouver, BC
Period11/12/1011/18/10

Fingerprint

Molecular dynamics
Program processors
Channel flow
Computer programming languages
Navier Stokes equations
Fluids
Graphics processing unit

ASJC Scopus subject areas

  • Mechanical Engineering

Cite this

Marsh, D. D., & Vanka, S. P. (2010). Multiscale MD/LBM simulations of flow in complex nano/micro channels. In ASME 2010 International Mechanical Engineering Congress and Exposition, IMECE 2010 (pp. 735-742). (ASME International Mechanical Engineering Congress and Exposition, Proceedings (IMECE); Vol. 10). https://doi.org/10.1115/IMECE2010-38343

Multiscale MD/LBM simulations of flow in complex nano/micro channels. / Marsh, D. D.; Vanka, Surya Pratap.

ASME 2010 International Mechanical Engineering Congress and Exposition, IMECE 2010. 2010. p. 735-742 (ASME International Mechanical Engineering Congress and Exposition, Proceedings (IMECE); Vol. 10).

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Marsh, DD & Vanka, SP 2010, Multiscale MD/LBM simulations of flow in complex nano/micro channels. in ASME 2010 International Mechanical Engineering Congress and Exposition, IMECE 2010. ASME International Mechanical Engineering Congress and Exposition, Proceedings (IMECE), vol. 10, pp. 735-742, ASME 2010 International Mechanical Engineering Congress and Exposition, IMECE 2010, Vancouver, BC, Canada, 11/12/10. https://doi.org/10.1115/IMECE2010-38343
Marsh DD, Vanka SP. Multiscale MD/LBM simulations of flow in complex nano/micro channels. In ASME 2010 International Mechanical Engineering Congress and Exposition, IMECE 2010. 2010. p. 735-742. (ASME International Mechanical Engineering Congress and Exposition, Proceedings (IMECE)). https://doi.org/10.1115/IMECE2010-38343
Marsh, D. D. ; Vanka, Surya Pratap. / Multiscale MD/LBM simulations of flow in complex nano/micro channels. ASME 2010 International Mechanical Engineering Congress and Exposition, IMECE 2010. 2010. pp. 735-742 (ASME International Mechanical Engineering Congress and Exposition, Proceedings (IMECE)).
@inproceedings{c2bee61272b146b093ca0b5a4615f524,
title = "Multiscale MD/LBM simulations of flow in complex nano/micro channels",
abstract = "This paper examines the fluid behavior in micro and nano sized channels by using a coupled Molecular Dynamics and Lattice Boltzmann solution method, implemented in a novel fashion on a Graphics Processor. Molecular Dynamics is well known for its ability to resolve phenomena in the near wall regions, where continuum assumptions are no longer valid, at the expense of computational power. Lattice Boltzmann is a mesoscale continuum-description solver that is very efficient and reduces to the Navier-Stokes equations, thereby being a logical choice to solve regions further from the wall. This method is parallelized to be run on the Graphics Processor, using NVIDIA's CUDA programming language. Individually, Lattice Boltzmann methods are approximately 70x faster on the GPU than a modern CPU, Molecular Dynamics is about 5x faster. Higher resolutions are able to be simulated than previously performed due to the efficiency of this implementation. We analyze the results of straight channel Poiseuille flow using the hybrid solver and note the continuum breakdown is successfully predicted by the hybrid code in the form of density oscillations near the wall along with velocity slip conditions. Streamlines, contours and velocity profiles are utilized to illustrate these points. Future work includes expanding this solver's capability to handle complex boundaries.",
author = "Marsh, {D. D.} and Vanka, {Surya Pratap}",
year = "2010",
month = "12",
day = "1",
doi = "10.1115/IMECE2010-38343",
language = "English (US)",
isbn = "9780791844472",
series = "ASME International Mechanical Engineering Congress and Exposition, Proceedings (IMECE)",
pages = "735--742",
booktitle = "ASME 2010 International Mechanical Engineering Congress and Exposition, IMECE 2010",

}

TY - GEN

T1 - Multiscale MD/LBM simulations of flow in complex nano/micro channels

AU - Marsh, D. D.

AU - Vanka, Surya Pratap

PY - 2010/12/1

Y1 - 2010/12/1

N2 - This paper examines the fluid behavior in micro and nano sized channels by using a coupled Molecular Dynamics and Lattice Boltzmann solution method, implemented in a novel fashion on a Graphics Processor. Molecular Dynamics is well known for its ability to resolve phenomena in the near wall regions, where continuum assumptions are no longer valid, at the expense of computational power. Lattice Boltzmann is a mesoscale continuum-description solver that is very efficient and reduces to the Navier-Stokes equations, thereby being a logical choice to solve regions further from the wall. This method is parallelized to be run on the Graphics Processor, using NVIDIA's CUDA programming language. Individually, Lattice Boltzmann methods are approximately 70x faster on the GPU than a modern CPU, Molecular Dynamics is about 5x faster. Higher resolutions are able to be simulated than previously performed due to the efficiency of this implementation. We analyze the results of straight channel Poiseuille flow using the hybrid solver and note the continuum breakdown is successfully predicted by the hybrid code in the form of density oscillations near the wall along with velocity slip conditions. Streamlines, contours and velocity profiles are utilized to illustrate these points. Future work includes expanding this solver's capability to handle complex boundaries.

AB - This paper examines the fluid behavior in micro and nano sized channels by using a coupled Molecular Dynamics and Lattice Boltzmann solution method, implemented in a novel fashion on a Graphics Processor. Molecular Dynamics is well known for its ability to resolve phenomena in the near wall regions, where continuum assumptions are no longer valid, at the expense of computational power. Lattice Boltzmann is a mesoscale continuum-description solver that is very efficient and reduces to the Navier-Stokes equations, thereby being a logical choice to solve regions further from the wall. This method is parallelized to be run on the Graphics Processor, using NVIDIA's CUDA programming language. Individually, Lattice Boltzmann methods are approximately 70x faster on the GPU than a modern CPU, Molecular Dynamics is about 5x faster. Higher resolutions are able to be simulated than previously performed due to the efficiency of this implementation. We analyze the results of straight channel Poiseuille flow using the hybrid solver and note the continuum breakdown is successfully predicted by the hybrid code in the form of density oscillations near the wall along with velocity slip conditions. Streamlines, contours and velocity profiles are utilized to illustrate these points. Future work includes expanding this solver's capability to handle complex boundaries.

UR - http://www.scopus.com/inward/record.url?scp=84881420686&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84881420686&partnerID=8YFLogxK

U2 - 10.1115/IMECE2010-38343

DO - 10.1115/IMECE2010-38343

M3 - Conference contribution

SN - 9780791844472

T3 - ASME International Mechanical Engineering Congress and Exposition, Proceedings (IMECE)

SP - 735

EP - 742

BT - ASME 2010 International Mechanical Engineering Congress and Exposition, IMECE 2010

ER -