Simulating nanoscale particle suspensions using a coupled lattice-Boltzmann and Langevin-dynamics method: application to particle transport in cellular blood flow.

ORAL

Abstract

A novel computational approach coupling the lattice-Boltzmann (LB) method and a Langevin-dynamics (LD) approach has been developed to simulate nanoscale particle (NP) suspensions in the presence of both thermal fluctuation and many-body hydrodynamic interactions (HI). The Brownian motion of NPs is explicitly driven by the stochastic force term in the LD. The LB method is coupled with the LD in a two-way fashion through a discrete forcing source distribution term in the LB method. The validity and accuracy of this LB-LD approach is demonstrated through several verification problems, including velocity relaxation of an isolated particle, self-diffusion of a Brownian particle, and relaxation of a polymer chain. Good agreement between simulation and theory is observed. The verified algorithm is applied to study the migration of NPs in cellular blood flow within microvasculature. For NPs of diameter 1\textasciitilde 100 nm, Brownian diffusion, compared to the red blood cell (RBC)-enhanced diffusion, is shown to be the predominant driver for the NP radial diffusion process. For larger NPs of diameter \textasciitilde 500 nm, Brownian diffusion and RBC-enhanced diffusion are shown to be comparably significant.

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Authors

  • Zixiang Liu

    Georgia Institute of Technology

  • S.S. Gupta

    Department of Applied Mathematics & Sciences, Khalifa University, Abu Dhabi 127788, UAE, Physics Department, Kalamazoo College, Kalamazoo, Michigan 49006, USA, National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, Michigan 48824, USA, Indian Institute of Technology Ropar, Nangal Road, Rupnagar (Ropar), Punjab 140 001, India, The Institute for Nuclear Research, Moscow, Davidson Coll, Western kentucky University, Bowling Green, KY 42101, Naval Postgraduate School, Austin Peay State University, Univ of Tennessee, Knoxville, University of Nebraska, Rajarata University of Sri Lanka, University of West Georgia, Department of Physics, University of Alabama at Birmingham, Center for High Pressure Science and Technology Advanced Research, Northwestern Univ, Univ of Virginia, Western Kentucky University, Physics Dept. Bowling Green, KY, Department of Physics, The University of Texas-Rio Grande Valley, TX 78539, Western Kentucky University, Bowling Green, KY 42101, Western Kentucky University, School of Electronic and Electrical Engineering, University of Leeds, Leeds LS2 9JT, United Kingdom, Austin Peay State Univ, University of Pardubice, Clemson University, Appalachian State Univ, Department of Physics, University of West Georgia, Department of Geosciences, University of West Georgia, Department of Physics and Astronomy, Georgia State University, Francis Marion University, The Pennsylvania State University, Auburn University, Department of Physics & Astronomy, Louisiana State University, Baton Rouge, Louisiana, Department of Physics, Brigham Young University-Idaho, Rexburg, Idaho, Department of Physics,North Carolina State University, William Mong Institute of Nano Science and Technology, MSTD, Oak Ridge National Laboratory, Department of Physics and Astronomy, Vanderbilt University, Univ of Bristol, University of Alabama in Birmingham, Georgia Institute of Technology, Sandia National Laboratories, University of South Florida

  • S.S. Gupta

    Department of Applied Mathematics & Sciences, Khalifa University, Abu Dhabi 127788, UAE, Physics Department, Kalamazoo College, Kalamazoo, Michigan 49006, USA, National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, Michigan 48824, USA, Indian Institute of Technology Ropar, Nangal Road, Rupnagar (Ropar), Punjab 140 001, India, The Institute for Nuclear Research, Moscow, Davidson Coll, Western kentucky University, Bowling Green, KY 42101, Naval Postgraduate School, Austin Peay State University, Univ of Tennessee, Knoxville, University of Nebraska, Rajarata University of Sri Lanka, University of West Georgia, Department of Physics, University of Alabama at Birmingham, Center for High Pressure Science and Technology Advanced Research, Northwestern Univ, Univ of Virginia, Western Kentucky University, Physics Dept. Bowling Green, KY, Department of Physics, The University of Texas-Rio Grande Valley, TX 78539, Western Kentucky University, Bowling Green, KY 42101, Western Kentucky University, School of Electronic and Electrical Engineering, University of Leeds, Leeds LS2 9JT, United Kingdom, Austin Peay State Univ, University of Pardubice, Clemson University, Appalachian State Univ, Department of Physics, University of West Georgia, Department of Geosciences, University of West Georgia, Department of Physics and Astronomy, Georgia State University, Francis Marion University, The Pennsylvania State University, Auburn University, Department of Physics & Astronomy, Louisiana State University, Baton Rouge, Louisiana, Department of Physics, Brigham Young University-Idaho, Rexburg, Idaho, Department of Physics,North Carolina State University, William Mong Institute of Nano Science and Technology, MSTD, Oak Ridge National Laboratory, Department of Physics and Astronomy, Vanderbilt University, Univ of Bristol, University of Alabama in Birmingham, Georgia Institute of Technology, Sandia National Laboratories, University of South Florida

  • S.S. Gupta

    Department of Applied Mathematics & Sciences, Khalifa University, Abu Dhabi 127788, UAE, Physics Department, Kalamazoo College, Kalamazoo, Michigan 49006, USA, National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, Michigan 48824, USA, Indian Institute of Technology Ropar, Nangal Road, Rupnagar (Ropar), Punjab 140 001, India, The Institute for Nuclear Research, Moscow, Davidson Coll, Western kentucky University, Bowling Green, KY 42101, Naval Postgraduate School, Austin Peay State University, Univ of Tennessee, Knoxville, University of Nebraska, Rajarata University of Sri Lanka, University of West Georgia, Department of Physics, University of Alabama at Birmingham, Center for High Pressure Science and Technology Advanced Research, Northwestern Univ, Univ of Virginia, Western Kentucky University, Physics Dept. Bowling Green, KY, Department of Physics, The University of Texas-Rio Grande Valley, TX 78539, Western Kentucky University, Bowling Green, KY 42101, Western Kentucky University, School of Electronic and Electrical Engineering, University of Leeds, Leeds LS2 9JT, United Kingdom, Austin Peay State Univ, University of Pardubice, Clemson University, Appalachian State Univ, Department of Physics, University of West Georgia, Department of Geosciences, University of West Georgia, Department of Physics and Astronomy, Georgia State University, Francis Marion University, The Pennsylvania State University, Auburn University, Department of Physics & Astronomy, Louisiana State University, Baton Rouge, Louisiana, Department of Physics, Brigham Young University-Idaho, Rexburg, Idaho, Department of Physics,North Carolina State University, William Mong Institute of Nano Science and Technology, MSTD, Oak Ridge National Laboratory, Department of Physics and Astronomy, Vanderbilt University, Univ of Bristol, University of Alabama in Birmingham, Georgia Institute of Technology, Sandia National Laboratories, University of South Florida

  • S.S. Gupta

    Department of Applied Mathematics & Sciences, Khalifa University, Abu Dhabi 127788, UAE, Physics Department, Kalamazoo College, Kalamazoo, Michigan 49006, USA, National Superconducting Cyclotron Laboratory, Michigan State University, East Lansing, Michigan 48824, USA, Indian Institute of Technology Ropar, Nangal Road, Rupnagar (Ropar), Punjab 140 001, India, The Institute for Nuclear Research, Moscow, Davidson Coll, Western kentucky University, Bowling Green, KY 42101, Naval Postgraduate School, Austin Peay State University, Univ of Tennessee, Knoxville, University of Nebraska, Rajarata University of Sri Lanka, University of West Georgia, Department of Physics, University of Alabama at Birmingham, Center for High Pressure Science and Technology Advanced Research, Northwestern Univ, Univ of Virginia, Western Kentucky University, Physics Dept. Bowling Green, KY, Department of Physics, The University of Texas-Rio Grande Valley, TX 78539, Western Kentucky University, Bowling Green, KY 42101, Western Kentucky University, School of Electronic and Electrical Engineering, University of Leeds, Leeds LS2 9JT, United Kingdom, Austin Peay State Univ, University of Pardubice, Clemson University, Appalachian State Univ, Department of Physics, University of West Georgia, Department of Geosciences, University of West Georgia, Department of Physics and Astronomy, Georgia State University, Francis Marion University, The Pennsylvania State University, Auburn University, Department of Physics & Astronomy, Louisiana State University, Baton Rouge, Louisiana, Department of Physics, Brigham Young University-Idaho, Rexburg, Idaho, Department of Physics,North Carolina State University, William Mong Institute of Nano Science and Technology, MSTD, Oak Ridge National Laboratory, Department of Physics and Astronomy, Vanderbilt University, Univ of Bristol, University of Alabama in Birmingham, Georgia Institute of Technology, Sandia National Laboratories, University of South Florida