Coarse-grained hydrodynamics from correlation functions

Palmer, Bruce

doi:10.1103/PhysRevE.97.022106

Title: Coarse-grained hydrodynamics from correlation functions

Authors:: Palmer, Bruce

Publication Date:: Tue Feb 06 00:00:00 EST 2018

Sponsoring Org.:: USDOE

OSTI Identifier:: 1419696

Grant/Contract Number:: AC05-76RLO 1830

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Review E

Additional Journal Information:: Journal Name: Physical Review E Journal Volume: 97 Journal Issue: 2; Journal ID: ISSN 2470-0045

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

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                    Palmer, Bruce. Coarse-grained hydrodynamics from correlation functions.  United States: N. p., 2018. 
Web.  doi:10.1103/PhysRevE.97.022106.

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                    Palmer, Bruce. Coarse-grained hydrodynamics from correlation functions.  United States.  https://doi.org/10.1103/PhysRevE.97.022106

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                    Palmer, Bruce. Tue .  
"Coarse-grained hydrodynamics from correlation functions".  United States.  https://doi.org/10.1103/PhysRevE.97.022106.

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@article{osti_1419696,

  title        = {Coarse-grained hydrodynamics from correlation functions},

  author       = {Palmer, Bruce},

  abstractNote = {},

  doi          = {10.1103/PhysRevE.97.022106},

  journal      = {Physical Review E},

  number       = 2,

  volume       = 97,

  place        = {United States},

  year         = {Tue Feb 06 00:00:00 EST 2018},

  month        = {Tue Feb 06 00:00:00 EST 2018}

}

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Works referenced in this record:

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Green, Melville S.
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On the definition of discrete hydrodynamic variables
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Calculation of thermal-diffusion coefficients from plane-wave fluctuations in the heat energy density
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Thermal transport coefficients for one-and two-component liquids from time correlation functions computed by molecular dynamics
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Molecular dynamics simulation of electro-osmotic flows in rough wall nanochannels
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Transverse-current autocorrelation-function calculations of the shear viscosity for molecular liquids
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Direct simulation of hydrodynamic relaxation in microchannels
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This paper will describe a formalism for using correlation functions between different grid cells as the basis for determining coarse-grained hydrodynamic equations for modeling the behavior of mesoscopic fluid systems. Configuration from a molecular dynamics simulation are projected onto basis functions representing grid cells in a continuum hydrodynamic simulation. Equilbrium correlation functions between different grid cells are evaluated from the molecular simulation and used to determine the evolution operator for the coarse-grained hydrodynamic system. The formalism is applied to some simple hydrodynamic cases to determine the feasibility of applying this to realistic nanoscale systems.
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Similar Records

Title: Coarse-grained hydrodynamics from correlation functions

Citation Formats

Markoff Random Processes and the Statistical Mechanics of Time‐Dependent Phenomena journal, August 1952

Markoff Random Processes and the Statistical Mechanics of Time‐Dependent Phenomena. II. Irreversible Processes in Fluids journal, March 1954

On the definition of discrete hydrodynamic variables journal, October 2009

Calculation of thermal-diffusion coefficients from plane-wave fluctuations in the heat energy density journal, March 1994

Microscopic derivation of discrete hydrodynamics journal, December 2009

Time-Correlation Functions and Transport Coefficients in Statistical Mechanics journal, October 1965

Multiscale coarse graining of liquid-state systems journal, October 2005

Statistical Mechanics of Dissipative Particle Dynamics journal, May 1995

Molecular dynamics simulation of nanoscale liquid flows journal, April 2010

Thermal transport coefficients for one-and two-component liquids from time correlation functions computed by molecular dynamics journal, July 1988

Coupling a nano-particle with isothermal fluctuating hydrodynamics: Coarse-graining from microscopic to mesoscopic dynamics journal, December 2015

Smoothed particle hydrodynamics journal, July 2005

Molecular dynamics simulation of electro-osmotic flows in rough wall nanochannels journal, May 2006

Transverse-current autocorrelation-function calculations of the shear viscosity for molecular liquids journal, January 1994

Direct simulation of hydrodynamic relaxation in microchannels journal, July 1998

Statistical-Mechanical Theory of Irreversible Processes. I. General Theory and Simple Applications to Magnetic and Conduction Problems journal, June 1957

Fluctuating hydrodynamics for multiscale modeling and simulation: Energy and heat transfer in molecular fluids journal, July 2012

Determining the shear viscosity of model liquids from molecular dynamics simulations journal, January 2002

The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models journal, June 2008

Quantifying the Molecular-Scale Aqueous Response to the Mica Surface journal, August 2017

Markoff Random Processes and the Statistical Mechanics of Time‐Dependent Phenomena
journal, August 1952

Markoff Random Processes and the Statistical Mechanics of Time‐Dependent Phenomena. II. Irreversible Processes in Fluids
journal, March 1954

On the definition of discrete hydrodynamic variables
journal, October 2009

Calculation of thermal-diffusion coefficients from plane-wave fluctuations in the heat energy density
journal, March 1994

Microscopic derivation of discrete hydrodynamics
journal, December 2009

Time-Correlation Functions and Transport Coefficients in Statistical Mechanics
journal, October 1965

Multiscale coarse graining of liquid-state systems
journal, October 2005

Statistical Mechanics of Dissipative Particle Dynamics
journal, May 1995

Molecular dynamics simulation of nanoscale liquid flows
journal, April 2010

Thermal transport coefficients for one-and two-component liquids from time correlation functions computed by molecular dynamics
journal, July 1988

Coupling a nano-particle with isothermal fluctuating hydrodynamics: Coarse-graining from microscopic to mesoscopic dynamics
journal, December 2015

Smoothed particle hydrodynamics
journal, July 2005

Molecular dynamics simulation of electro-osmotic flows in rough wall nanochannels
journal, May 2006

Transverse-current autocorrelation-function calculations of the shear viscosity for molecular liquids
journal, January 1994

Direct simulation of hydrodynamic relaxation in microchannels
journal, July 1998

Statistical-Mechanical Theory of Irreversible Processes. I. General Theory and Simple Applications to Magnetic and Conduction Problems
journal, June 1957

Fluctuating hydrodynamics for multiscale modeling and simulation: Energy and heat transfer in molecular fluids
journal, July 2012

Determining the shear viscosity of model liquids from molecular dynamics simulations
journal, January 2002

The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models
journal, June 2008

Quantifying the Molecular-Scale Aqueous Response to the Mica Surface
journal, August 2017