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Title: Analysis of hydrodynamic fluctuations in heterogeneous adjacent multidomains in shear flow

Journal Article · · Physical Review E

We analyze hydrodynamic fluctuations of a hybrid simulation under shear flow. The hybrid simulation is based on the Navier-Stokes (NS) equations on one domain and dissipative particle dynamics (DPD) on the other. The two domains overlap, and there is an artificial boundary for each one within the overlapping region. To impose the artificial boundary of the NS solver, a simple spatial-temporal averaging is performed on the DPD simulation. In the artificial boundary of the particle simulation, four popular strategies of constraint dynamics are implemented, namely the Maxwell buffer [Hadjiconstantinou and Patera, Int. J. Mod. Phys. C 08, 967 (1997)], the relaxation dynamics [O'Connell and Thompson, Phys. Rev. E 52, R5792 (1995)], the least constraint dynamics [Nie et al., J. Fluid Mech. 500, 55 (2004); Werder et al., J. Comput. Phys. 205, 373 (2005)], and the flux imposition [Flekkøy et al., Europhys. Lett. 52, 271 (2000)], to achieve a target mean value given by the NS solver. Going beyond the mean flow field of the hybrid simulations, we investigate the hydrodynamic fluctuations in the DPD domain. Toward that end, we calculate the transversal autocorrelation functions of the fluctuating variables in k space to evaluate the generation, transport, and dissipation of fluctuations in the presence of a hybrid interface. We quantify the unavoidable errors in the fluctuations, due to both the truncation of the domain and the constraint dynamics performed in the artificial boundary. Furthermore, we compare the four methods of constraint dynamics and demonstrate how to reduce the errors in fluctuations. The analysis and findings of this work are directly applicable to other hybrid simulations of fluid flow with thermal fluctuations.

Research Organization:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Oak Ridge Leadership Computing Facility (OLCF)
Sponsoring Organization:
USDOE Office of Science (SC)
DOE Contract Number:
AC02-06CH11357; AC05-00OR22725
OSTI ID:
1565504
Journal Information:
Physical Review E, Vol. 93, Issue 3; ISSN 2470-0045
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English

References (31)

Molecular dynamics–continuum hybrid computations: A tool for studying complex fluid flows journal December 1995
Heterogeneous Atomistic-Continuum Representations for Dense Fluid Systems journal August 1997
Hybrid model for combined particle and continuum dynamics journal November 2000
A continuum and molecular dynamics hybrid method for micro- and nano-fluid flow journal January 1999
Hybrid atomistic–continuum method for the simulation of dense fluid flows journal May 2005
Heterogeneous multiscale method for the modeling of complex fluids and micro-fluidics journal March 2005
Adaptive resolution molecular-dynamics simulation: Changing the degrees of freedom on the fly journal December 2005
Triple-decker: Interfacing atomistic–mesoscopic–continuum flow regimes journal March 2009
A multiscale method for micro/nano flows of high aspect ratio journal January 2013
Multi-resolution flow simulations by smoothed particle hydrodynamics via domain decomposition journal September 2015
Multiscale Universal Interface: A concurrent framework for coupling heterogeneous solvers journal September 2015
Fluctuating hydrodynamics in periodic domains and heterogeneous adjacent multidomains: Thermal equilibrium journal November 2015
MaMiCo: Software design for parallel molecular-continuum flow simulations journal March 2016
Rheology, Microstructure and Migration in Brownian Colloidal Suspensions journal January 2010
Multiscale modeling of particle in suspension with smoothed dissipative particle dynamics journal January 2012
A SPH-based particle model for computational microrheology journal March 2012
Effect of fluid–colloid interactions on the mobility of a thermophoretic microswimmer in non-ideal fluids journal January 2015
Probing vasoocclusion phenomena in sickle cell anemia via mesoscopic simulations journal June 2013
Large-scale dissipative particle dynamics simulations of self-assembled amphiphilic systems journal January 2014
Hydrodynamic fluctuations at large shear rate journal November 1985
The computer study of transport processes under extreme conditions journal August 1972
Simulating Microscopic Hydrodynamic Phenomena with Dissipative Particle Dynamics journal June 1992
Statistical Mechanics of Dissipative Particle Dynamics journal May 1995
Dissipative particle dynamics: Bridging the gap between atomistic and mesoscopic simulation journal September 1997
Time-dependent and outflow boundary conditions for Dissipative Particle Dynamics journal May 2011
Analytical and numerical study of coupled atomistic-continuum methods for fluids journal December 2007
Transport dissipative particle dynamics model for mesoscopic advection-diffusion-reaction problems journal July 2015
Long-time tails for sheared fluids journal August 2009
Hydrodynamic correlations in shear flow: Multiparticle-collision-dynamics simulation study journal November 2015
Fast Parallel Algorithms for Short-Range Molecular Dynamics journal March 1995
Statistical Mechanics of Nonequilibrium Liquids book January 2008

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