Traditionally, the numerical computation of particle motion in a fluid is resolved through computational fluid dynamics (CFD). However, resolving the motion of nanoparticles poses additional challenges due to the coupling between the Brownian and hydrodynamic forces. Here, we focus on the Brownian motion of a nanoparticle coupled to adhesive interactions and confining-wall-mediated hydrodynamic interactions. We discuss several techniques that are founded on the basis of combining CFD methods with the theory of nonequilibrium statistical mechanics in order to simultaneously conserve thermal equipartition and to show correct hydrodynamic correlations. These include the fluctuating hydrodynamics (FHD) method, the generalized Langevin method, the hybrid method, and the deterministic method. Through the examples discussed, we also show a top-down multiscale progression of temporal dynamics from the colloidal scales to the molecular scales, and the associated fluctuations, hydrodynamic correlations. While the motivation and the examples discussed here pertain to nanoscale fluid dynamics and mass transport, the methodologies presented are rather general and can be easily adopted to applications in convective heat transfer.
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March 2017
Research-Article
Computational Models for Nanoscale Fluid Dynamics and Transport Inspired by Nonequilibrium Thermodynamics1
Ravi Radhakrishnan,
Ravi Radhakrishnan
Department of Chemical
and Biomolecular Engineering;
Department of Bioengineering,
University of Pennsylvania,
Philadelphia, PA 19104
e-mail: rradhak@seas.upenn.edu
and Biomolecular Engineering;
Department of Bioengineering,
University of Pennsylvania,
Philadelphia, PA 19104
e-mail: rradhak@seas.upenn.edu
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Hsiu-Yu Yu,
Hsiu-Yu Yu
Department of Chemical and
Biomolecular Engineering,
University of Pennsylvania,
Philadelphia, PA 19104
e-mail: hsiuyu@seas.upenn.edu
Biomolecular Engineering,
University of Pennsylvania,
Philadelphia, PA 19104
e-mail: hsiuyu@seas.upenn.edu
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David M. Eckmann,
David M. Eckmann
Department of Anesthesialogy
and Critical Care;
Department of Bioengineering,
University of Pennsylvania,
Philadelphia, PA 19104
e-mail: David.Eckmann@uphs.upenn.edu
and Critical Care;
Department of Bioengineering,
University of Pennsylvania,
Philadelphia, PA 19104
e-mail: David.Eckmann@uphs.upenn.edu
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Portonovo S. Ayyaswamy
Portonovo S. Ayyaswamy
Department of Mechanical Engineering
and Applied Mechanics,
University of Pennsylvania,
Philadelphia, PA 19104
e-mail: ayya@seas.upenn.edu
and Applied Mechanics,
University of Pennsylvania,
Philadelphia, PA 19104
e-mail: ayya@seas.upenn.edu
Search for other works by this author on:
Ravi Radhakrishnan
Department of Chemical
and Biomolecular Engineering;
Department of Bioengineering,
University of Pennsylvania,
Philadelphia, PA 19104
e-mail: rradhak@seas.upenn.edu
and Biomolecular Engineering;
Department of Bioengineering,
University of Pennsylvania,
Philadelphia, PA 19104
e-mail: rradhak@seas.upenn.edu
Hsiu-Yu Yu
Department of Chemical and
Biomolecular Engineering,
University of Pennsylvania,
Philadelphia, PA 19104
e-mail: hsiuyu@seas.upenn.edu
Biomolecular Engineering,
University of Pennsylvania,
Philadelphia, PA 19104
e-mail: hsiuyu@seas.upenn.edu
David M. Eckmann
Department of Anesthesialogy
and Critical Care;
Department of Bioengineering,
University of Pennsylvania,
Philadelphia, PA 19104
e-mail: David.Eckmann@uphs.upenn.edu
and Critical Care;
Department of Bioengineering,
University of Pennsylvania,
Philadelphia, PA 19104
e-mail: David.Eckmann@uphs.upenn.edu
Portonovo S. Ayyaswamy
Department of Mechanical Engineering
and Applied Mechanics,
University of Pennsylvania,
Philadelphia, PA 19104
e-mail: ayya@seas.upenn.edu
and Applied Mechanics,
University of Pennsylvania,
Philadelphia, PA 19104
e-mail: ayya@seas.upenn.edu
2Corresponding author.
Contributed by the Heat Transfer Division of ASME for publication in the JOURNAL OF HEAT TRANSFER. Manuscript received April 25, 2016; final manuscript received August 26, 2016; published online November 22, 2016. Assoc. Editor: Ravi Prasher.
J. Heat Transfer. Mar 2017, 139(3): 033001 (9 pages)
Published Online: November 22, 2016
Article history
Received:
April 25, 2016
Revised:
August 26, 2016
Citation
Radhakrishnan, R., Yu, H., Eckmann, D. M., and Ayyaswamy, P. S. (November 22, 2016). "Computational Models for Nanoscale Fluid Dynamics and Transport Inspired by Nonequilibrium Thermodynamics." ASME. J. Heat Transfer. March 2017; 139(3): 033001. https://doi.org/10.1115/1.4035006
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