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Title: Multiscale method based on coupled lattice‐Boltzmann and Langevin‐dynamics for direct simulation of nanoscale particle/polymer suspensions in complex flows

Abstract

Summary A hybrid computational method coupling the lattice‐Boltzmann (LB) method and a Langevin‐dynamics (LD) method is developed to simulate nanoscale particle and polymer (NPP) suspensions in the presence of both thermal fluctuation and long‐range many‐body hydrodynamic interactions (HIs). Brownian motion of the NPP is explicitly captured by a stochastic forcing term in the LD method. The LD method is two‐way coupled to the nonfluctuating LB fluid through a discrete LB forcing source distribution to capture the long‐range HI. To ensure intrinsically linear scalability with respect to the number of particles, a Eulerian‐host algorithm for short‐distance particle neighbor search and interaction is developed and embedded to LB‐LD framework. The validity and accuracy of the LB‐LD approach are demonstrated through several sample problems. The simulation results show good agreements with theory and experiment. The LB‐LD approach can be favorably incorporated into complex multiscale computational frameworks for efficiently simulating multiscale multicomponent particulate suspension systems such as complex blood suspensions.

Authors:
ORCiD logo [1];  [2];  [3];  [3];  [3]; ORCiD logo [1]
+ Show Author Affiliations
  1. George W. Woodruff School of Mechanical Engineering Georgia Institute of Technology Atlanta Georgia, Parker H. Petit Institute for Bioengineering and Bioscience Georgia Institute of Technology Atlanta Georgia
  2. George W. Woodruff School of Mechanical Engineering Georgia Institute of Technology Atlanta Georgia
  3. Sandia National Laboratories Albuquerque New Mexico
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1531180
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
International Journal for Numerical Methods in Fluids
Additional Journal Information:
Journal Name: International Journal for Numerical Methods in Fluids Journal Volume: 91 Journal Issue: 5; Journal ID: ISSN 0271-2091
Publisher:
Wiley Blackwell (John Wiley & Sons)
Country of Publication:
United Kingdom
Language:
English

Citation Formats

Liu, Zixiang, Zhu, Yuanzheng, Clausen, Jonathan R., Lechman, Jeremy B., Rao, Rekha R., and Aidun, Cyrus K. Multiscale method based on coupled lattice‐Boltzmann and Langevin‐dynamics for direct simulation of nanoscale particle/polymer suspensions in complex flows. United Kingdom: N. p., 2019. Web. doi:10.1002/fld.4752.
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Liu, Zixiang, Zhu, Yuanzheng, Clausen, Jonathan R., Lechman, Jeremy B., Rao, Rekha R., & Aidun, Cyrus K. Multiscale method based on coupled lattice‐Boltzmann and Langevin‐dynamics for direct simulation of nanoscale particle/polymer suspensions in complex flows. United Kingdom. https://doi.org/10.1002/fld.4752
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Liu, Zixiang, Zhu, Yuanzheng, Clausen, Jonathan R., Lechman, Jeremy B., Rao, Rekha R., and Aidun, Cyrus K. Fri . "Multiscale method based on coupled lattice‐Boltzmann and Langevin‐dynamics for direct simulation of nanoscale particle/polymer suspensions in complex flows". United Kingdom. https://doi.org/10.1002/fld.4752.
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@article{osti_1531180,
title = {Multiscale method based on coupled lattice‐Boltzmann and Langevin‐dynamics for direct simulation of nanoscale particle/polymer suspensions in complex flows},
author = {Liu, Zixiang and Zhu, Yuanzheng and Clausen, Jonathan R. and Lechman, Jeremy B. and Rao, Rekha R. and Aidun, Cyrus K.},
abstractNote = {Summary A hybrid computational method coupling the lattice‐Boltzmann (LB) method and a Langevin‐dynamics (LD) method is developed to simulate nanoscale particle and polymer (NPP) suspensions in the presence of both thermal fluctuation and long‐range many‐body hydrodynamic interactions (HIs). Brownian motion of the NPP is explicitly captured by a stochastic forcing term in the LD method. The LD method is two‐way coupled to the nonfluctuating LB fluid through a discrete LB forcing source distribution to capture the long‐range HI. To ensure intrinsically linear scalability with respect to the number of particles, a Eulerian‐host algorithm for short‐distance particle neighbor search and interaction is developed and embedded to LB‐LD framework. The validity and accuracy of the LB‐LD approach are demonstrated through several sample problems. The simulation results show good agreements with theory and experiment. The LB‐LD approach can be favorably incorporated into complex multiscale computational frameworks for efficiently simulating multiscale multicomponent particulate suspension systems such as complex blood suspensions.},
doi = {10.1002/fld.4752},
journal = {International Journal for Numerical Methods in Fluids},
number = 5,
volume = 91,
place = {United Kingdom},
year = {Fri Jul 05 00:00:00 EDT 2019},
month = {Fri Jul 05 00:00:00 EDT 2019}
}
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Journal Article:
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https://doi.org/10.1002/fld.4752
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