Nanoparticle diffusion in sheared cellular blood flow
Abstract
Using a multiscale blood flow solver, the complete diffusion tensor of nanoparticles (NPs) in sheared cellular blood flow is calculated over a wide range of shear rate and haematocrit. In the short-time regime, NPs exhibit anomalous dispersive behaviors under high shear and high haematocrit due to the transient elongation and alignment of the red blood cells (RBCs). In the long-time regime, the NP diffusion tensor features high anisotropy. Particularly, there exists a critical shear rate ($${\sim}100~\text{s}^{-1}$$) around which the shear-rate dependence of the diffusivity tensor changes from linear to nonlinear scale. Above the critical shear rate, the cross-stream diffusivity terms vary sublinearly with shear rate, while the longitudinal term varies superlinearly. The dependence on haematocrit is linear in general except at high shear rates, where a sublinear scale is found for the vorticity term and a quadratic scale for the longitudinal term. Through analysis of the suspension microstructure and numerical experiments, the nonlinear haemorheological dependence of the NP diffusion tensor is attributed to the streamwise elongation and cross-stream contraction of RBCs under high shear, quantified by a capillary number. The RBC size is shown to be the characteristic length scale affecting the RBC-enhanced shear-induced diffusion (RESID), while the NP submicrometre size exhibits negligible influence on the RESID. Based on the observed scaling behaviours, empirical correlations are proposed to bridge the NP diffusion tensor to specific shear rate and haematocrit. As a result, the characterized NP diffusion tensor provides a constitutive relation that can lead to more effective continuum models to tackle large-scale NP biotransport applications.
- Authors:
-
- Georgia Inst. of Technology, Atlanta, GA (United States)
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
- Publication Date:
- Research Org.:
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
- Sponsoring Org.:
- USDOE National Nuclear Security Administration (NNSA)
- OSTI Identifier:
- 1529001
- Report Number(s):
- SAND-2019-3969J
Journal ID: ISSN 0022-1120; 674532
- Grant/Contract Number:
- AC04-94AL85000
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Fluid Mechanics
- Additional Journal Information:
- Journal Volume: 871; Journal ID: ISSN 0022-1120
- Publisher:
- Cambridge University Press
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; 60 APPLIED LIFE SCIENCES; Blood flow; Suspensions; Particle/fluid flows
Citation Formats
Liu, Zixiang, Clausen, Jonathan R., Rao, Rekha R., and Aidun, Cyrus K. Nanoparticle diffusion in sheared cellular blood flow. United States: N. p., 2019.
Web. doi:10.1017/jfm.2019.320.
Liu, Zixiang, Clausen, Jonathan R., Rao, Rekha R., & Aidun, Cyrus K. Nanoparticle diffusion in sheared cellular blood flow. United States. https://doi.org/10.1017/jfm.2019.320
Liu, Zixiang, Clausen, Jonathan R., Rao, Rekha R., and Aidun, Cyrus K. Fri .
"Nanoparticle diffusion in sheared cellular blood flow". United States. https://doi.org/10.1017/jfm.2019.320. https://www.osti.gov/servlets/purl/1529001.
@article{osti_1529001,
title = {Nanoparticle diffusion in sheared cellular blood flow},
author = {Liu, Zixiang and Clausen, Jonathan R. and Rao, Rekha R. and Aidun, Cyrus K.},
abstractNote = {Using a multiscale blood flow solver, the complete diffusion tensor of nanoparticles (NPs) in sheared cellular blood flow is calculated over a wide range of shear rate and haematocrit. In the short-time regime, NPs exhibit anomalous dispersive behaviors under high shear and high haematocrit due to the transient elongation and alignment of the red blood cells (RBCs). In the long-time regime, the NP diffusion tensor features high anisotropy. Particularly, there exists a critical shear rate (${\sim}100~\text{s}^{-1}$) around which the shear-rate dependence of the diffusivity tensor changes from linear to nonlinear scale. Above the critical shear rate, the cross-stream diffusivity terms vary sublinearly with shear rate, while the longitudinal term varies superlinearly. The dependence on haematocrit is linear in general except at high shear rates, where a sublinear scale is found for the vorticity term and a quadratic scale for the longitudinal term. Through analysis of the suspension microstructure and numerical experiments, the nonlinear haemorheological dependence of the NP diffusion tensor is attributed to the streamwise elongation and cross-stream contraction of RBCs under high shear, quantified by a capillary number. The RBC size is shown to be the characteristic length scale affecting the RBC-enhanced shear-induced diffusion (RESID), while the NP submicrometre size exhibits negligible influence on the RESID. Based on the observed scaling behaviours, empirical correlations are proposed to bridge the NP diffusion tensor to specific shear rate and haematocrit. As a result, the characterized NP diffusion tensor provides a constitutive relation that can lead to more effective continuum models to tackle large-scale NP biotransport applications.},
doi = {10.1017/jfm.2019.320},
journal = {Journal of Fluid Mechanics},
number = ,
volume = 871,
place = {United States},
year = {Fri May 24 00:00:00 EDT 2019},
month = {Fri May 24 00:00:00 EDT 2019}
}
Web of Science
Works referenced in this record:
Inhibition of high shear arterial thrombosis by charged nanoparticles
journal, July 2018
- Griffin, Michael T.; Zhu, Yuanzheng; Liu, Zixiang
- Biomicrofluidics, Vol. 12, Issue 4
Shear-induced self-diffusion in non-colloidal suspensions
journal, January 1999
- Sierou, Asimina; Brady, John F.
- Journal of Fluid Mechanics, Vol. 506
Self-diffusion in sheared suspensions by dynamic simulation
journal, December 1999
- Foss, David R.; Brady, John F.
- Journal of Fluid Mechanics, Vol. 401
Principles of nanoparticle design for overcoming biological barriers to drug delivery
journal, September 2015
- Blanco, Elvin; Shen, Haifa; Ferrari, Mauro
- Nature Biotechnology, Vol. 33, Issue 9
Size and shape effects in the biodistribution of intravascularly injected particles
journal, February 2010
- Decuzzi, P.; Godin, B.; Tanaka, T.
- Journal of Controlled Release, Vol. 141, Issue 3
The measurement of the shear-induced particle and fluid tracer diffusivities in concentrated suspensions by a novel method
journal, November 1998
- Breedveld, Victor; Van Den Ende, Dirk; Tripathi, Anubhav
- Journal of Fluid Mechanics, Vol. 375
Simulating deformable particle suspensions using a coupled lattice-Boltzmann and finite-element method
journal, January 2009
- MacMECCAN, Robert M.; Clausen, J. R.; Neitzel, G. P.
- Journal of Fluid Mechanics, Vol. 618
Accurate Coarse-Grained Modeling of Red Blood Cells
journal, September 2008
- Pivkin, Igor V.; Karniadakis, George Em
- Physical Review Letters, Vol. 101, Issue 11
Mechanism of Margination in Confined Flows of Blood and Other Multicomponent Suspensions
journal, September 2012
- Kumar, Amit; Graham, Michael D.
- Physical Review Letters, Vol. 109, Issue 10
Augmented transport of extracellular solutes in concentrated erythrocyte suspensions in couette flow
journal, January 1985
- Wang, Nien-Hwa Linda; Keller, K. H.
- Journal of Colloid and Interface Science, Vol. 103, Issue 1
Spectral Ewald Acceleration of Stokesian Dynamics for polydisperse suspensions
journal, February 2016
- Wang, Mu; Brady, John F.
- Journal of Computational Physics, Vol. 306
Estimation of platelet diffusivity in flowing blood
journal, April 1978
- Antonini, G.; Guiffant, G.; Quemada, D.
- Biorheology, Vol. 15, Issue 2
Lattice Boltzmann simulation of solid particles suspended in fluid
journal, October 1995
- Aidun, Cyrus K.; Lu, Yannan
- Journal of Statistical Physics, Vol. 81, Issue 1-2
Direct analysis of particulate suspensions with inertia using the discrete Boltzmann equation
journal, October 1998
- Aidun, Cyrus K.; Lu, Yannan; Ding, E. -Jiang
- Journal of Fluid Mechanics, Vol. 373
Engineered nanoparticles interacting with cells: size matters
journal, January 2014
- Shang, Li; Nienhaus, Karin; Nienhaus, Gerd
- Journal of Nanobiotechnology, Vol. 12, Issue 1
Lattice-Boltzmann Simulation of Polymer-Solvent Systems
journal, December 1998
- Ahlrichs, Patrick; Dünweg, Burkhard
- International Journal of Modern Physics C, Vol. 09, Issue 08
Capsule dynamics and rheology in shear flow: Particle pressure and normal stress
journal, December 2010
- Clausen, Jonathan R.; Aidun, Cyrus K.
- Physics of Fluids, Vol. 22, Issue 12
Bridging the divide between human and environmental nanotoxicology
journal, October 2015
- Malysheva, Anzhela; Lombi, Enzo; Voelcker, Nicolas H.
- Nature Nanotechnology, Vol. 10, Issue 10
Shear-Induced Augmentation of Oxygen Transfer in Blood
journal, February 1980
- Diller, T. E.; Mikic, B. B.; Drinker, P. A.
- Journal of Biomechanical Engineering, Vol. 102, Issue 1
Margination of micro- and nano-particles in blood flow and its effect on drug delivery
journal, May 2014
- Müller, Kathrin; Fedosov, Dmitry A.; Gompper, Gerhard
- Scientific Reports, Vol. 4, Issue 1
Microcirculation and Hemorheology
journal, January 2005
- Popel, Aleksander S.; Johnson, Paul C.
- Annual Review of Fluid Mechanics, Vol. 37, Issue 1
Particulate Matter Air Pollution and Cardiovascular Disease: An Update to the Scientific Statement From the American Heart Association
journal, June 2010
- Brook, Robert D.; Rajagopalan, Sanjay; Pope, C. Arden
- Circulation, Vol. 121, Issue 21
Coupling the lattice-Boltzmann and spectrin-link methods for the direct numerical simulation of cellular blood flow
journal, February 2011
- Reasor, Daniel A.; Clausen, Jonathan R.; Aidun, Cyrus K.
- International Journal for Numerical Methods in Fluids, Vol. 68, Issue 6
Self-diffusion in sheared suspensions
journal, April 1996
- Morris, Jeffrey F.; Brady, John F.
- Journal of Fluid Mechanics, Vol. 312
Ten years of tension: single-molecule DNA mechanics
journal, January 2003
- Bustamante, Carlos; Bryant, Zev; Smith, Steven B.
- Nature, Vol. 421, Issue 6921
Nanoparticle transport in cellular blood flow
journal, August 2018
- Liu, Zixiang; Zhu, Yuanzheng; Rao, Rekha R.
- Computers & Fluids, Vol. 172
Bio-inspired, bioengineered and biomimetic drug delivery carriers
journal, July 2011
- Yoo, Jin-Wook; Irvine, Darrell J.; Discher, Dennis E.
- Nature Reviews Drug Discovery, Vol. 10, Issue 7
A Model for Collision Processes in Gases. I. Small Amplitude Processes in Charged and Neutral One-Component Systems
journal, May 1954
- Bhatnagar, P. L.; Gross, E. P.; Krook, M.
- Physical Review, Vol. 94, Issue 3
The fluctuation-dissipation theorem
journal, January 1966
- Kubo, R.
- Reports on Progress in Physics, Vol. 29, Issue 1
Efficient lattice Boltzmann algorithm for Brownian suspensions
journal, June 2011
- Mynam, Mahesh; Sunthar, P.; Ansumali, Santosh
- Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 369, Issue 1944
Molecularly based analysis of deformation of spectrin network and human erythrocyte
journal, September 2006
- Dao, M.; Li, J.; Suresh, S.
- Materials Science and Engineering: C, Vol. 26, Issue 8
Determination of Critical Parameters in Platelet Margination
journal, September 2012
- Reasor, Daniel A.; Mehrabadi, Marmar; Ku, David N.
- Annals of Biomedical Engineering, Vol. 41, Issue 2
The rheology and microstructure of concentrated non-colloidal suspensions of deformable capsules
journal, September 2011
- Clausen, Jonathan R.; Reasor, Daniel A.; Aidun, Cyrus K.
- Journal of Fluid Mechanics, Vol. 685
Analytic solutions of simple flows and analysis of nonslip boundary conditions for the lattice Boltzmann BGK model
journal, April 1997
- He, Xiaoyi; Zou, Qisu; Luo, Li-Shi
- Journal of Statistical Physics, Vol. 87, Issue 1-2
Scaling of shear-induced diffusion and clustering in a blood-like suspension
journal, April 2016
- Mountrakis, L.; Lorenz, E.; Hoekstra, A. G.
- EPL (Europhysics Letters), Vol. 114, Issue 1
Microvascular Rheology and Hemodynamics
journal, February 2005
- Lipowsky, Herbert
- Microcirculation, Vol. 12, Issue 1
The Effect of Nanoparticle Size, Shape, and Surface Chemistry on Biological Systems
journal, August 2012
- Albanese, Alexandre; Tang, Peter S.; Chan, Warren C. W.
- Annual Review of Biomedical Engineering, Vol. 14, Issue 1
Extension of the Lattice-Boltzmann Method for Direct Simulation of Suspended Particles Near Contact
journal, January 2003
- Ding, E-Jiang
- Journal of Statistical Physics, Vol. 112, Issue 3/4, p. 685-708
A Continuum Model for Platelet Transport in Flowing Blood Based on Direct Numerical Simulations of Cellular Blood Flow
journal, October 2014
- Mehrabadi, Marmar; Ku, David N.; Aidun, Cyrus K.
- Annals of Biomedical Engineering, Vol. 43, Issue 6
Expert position paper on air pollution and cardiovascular disease
journal, December 2014
- Newby, David E.; Mannucci, Pier M.; Tell, Grethe S.
- European Heart Journal, Vol. 36, Issue 2
Depletion-Mediated Red Blood Cell Aggregation in Polymer Solutions
journal, November 2002
- Neu, Björn; Meiselman, Herbert J.
- Biophysical Journal, Vol. 83, Issue 5
Inhaled Nanoparticles Accumulate at Sites of Vascular Disease
journal, April 2017
- Miller, Mark R.; Raftis, Jennifer B.; Langrish, Jeremy P.
- ACS Nano, Vol. 11, Issue 5
Origin of Hyperdiffusion in Generalized Brownian Motion
journal, September 2010
- Siegle, P.; Goychuk, I.; Hänggi, P.
- Physical Review Letters, Vol. 105, Issue 10
Simulation of a single polymer chain in solution by combining lattice Boltzmann and molecular dynamics
journal, November 1999
- Ahlrichs, Patrick; Dünweg, Burkhard
- The Journal of Chemical Physics, Vol. 111, Issue 17
Microstructure of strongly sheared suspensions and its impact on rheology and diffusion
journal, October 1997
- Brady, John F.; Morris, Jeffrey F.
- Journal of Fluid Mechanics, Vol. 348
Anomalous diffusion of wall-bounded non-colloidal suspensions in a steady shear flow
journal, October 2010
- Yeo, Kyongmin; Maxey, Martin R.
- EPL (Europhysics Letters), Vol. 92, Issue 2
Coupling of Navier-Stokes equations with protein molecular dynamics and its application to hemodynamics
journal, January 2004
- Liu, Yaling; Zhang, Lucy; Wang, Xiaodong
- International Journal for Numerical Methods in Fluids, Vol. 46, Issue 12
Predicting human blood viscosity in silico
journal, July 2011
- Fedosov, D. A.; Pan, W.; Caswell, B.
- Proceedings of the National Academy of Sciences, Vol. 108, Issue 29
Structure, diffusion and rheology of Brownian suspensions by Stokesian Dynamics simulation
journal, March 2000
- Foss, David R.; Brady, John F.
- Journal of Fluid Mechanics, Vol. 407
Shear-induced dispersion in a dilute suspension of rough spheres
journal, February 1996
- Da Cunha, F. R.; Hinch, E. J.
- Journal of Fluid Mechanics, Vol. 309
The computer study of transport processes under extreme conditions
journal, August 1972
- Lees, A. W.; Edwards, S. F.
- Journal of Physics C: Solid State Physics, Vol. 5, Issue 15
Brownian Dynamics simulation of hard-sphere colloidal dispersions
journal, May 2000
- Foss, David R.; Brady, John F.
- Journal of Rheology, Vol. 44, Issue 3
Shear-induced particle migration and margination in a cellular suspension
journal, January 2012
- Zhao, Hong; Shaqfeh, Eric S. G.; Narsimhan, Vivek
- Physics of Fluids, Vol. 24, Issue 1
Rheological characterization of cellular blood in shear
journal, June 2013
- Reasor, D. A.; Clausen, J. R.; Aidun, C. K.
- Journal of Fluid Mechanics, Vol. 726
Fluctuations and diffusion in sheared athermal suspensions of deformable particles
journal, December 2014
- Gross, Markus; Krüger, Timm; Varnik, Fathollah
- EPL (Europhysics Letters), Vol. 108, Issue 6
A Multiscale Red Blood Cell Model with Accurate Mechanics, Rheology, and Dynamics
journal, May 2010
- Fedosov, Dmitry A.; Caswell, Bruce; Karniadakis, George Em
- Biophysical Journal, Vol. 98, Issue 10
Thrombus Formation at High Shear Rates
journal, June 2017
- Casa, Lauren D. C.; Ku, David N.
- Annual Review of Biomedical Engineering, Vol. 19, Issue 1
Self-diffusion of particles in shear flow of a suspension
journal, January 1977
- Eckstein, Eugene C.; Bailey, Douglas G.; Shapiro, Ascher H.
- Journal of Fluid Mechanics, Vol. 79, Issue 1
Bidisperse and polydisperse suspension rheology at large solid fraction
journal, March 2018
- Pednekar, Sidhant; Chun, Jaehun; Morris, Jeffrey F.
- Journal of Rheology, Vol. 62, Issue 2
Dynamics of the orientation behavior and its connection with rheology in sheared non-Brownian suspensions of anisotropic dicolloidal particles
journal, May 2011
- Kumar, Amit; Higdon, Jonathan J. L.
- Journal of Rheology, Vol. 55, Issue 3
Single-particle motion in colloids: force-induced diffusion
journal, June 2010
- Zia, Roseanna N.; Brady, John F.
- Journal of Fluid Mechanics, Vol. 658
On the near-wall accumulation of injectable particles in the microcirculation: smaller is not better
journal, June 2013
- Lee, Tae-Rin; Choi, Myunghwan; Kopacz, Adrian M.
- Scientific Reports, Vol. 3, Issue 1
Parallel performance of a lattice-Boltzmann/finite element cellular blood flow solver on the IBM Blue Gene/P architecture
journal, June 2010
- Clausen, Jonathan R.; Reasor, Daniel A.; Aidun, Cyrus K.
- Computer Physics Communications, Vol. 181, Issue 6
In silico vascular modeling for personalized nanoparticle delivery
journal, March 2013
- Hossain, Shaolie S.; Zhang, Yongjie; Liang, Xinghua
- Nanomedicine, Vol. 8, Issue 3
Lattice-Boltzmann Method for Complex Flows
journal, January 2010
- Aidun, Cyrus K.; Clausen, Jonathan R.
- Annual Review of Fluid Mechanics, Vol. 42, Issue 1
Multiscale method based on coupled lattice‐Boltzmann and Langevin‐dynamics for direct simulation of nanoscale particle/polymer suspensions in complex flows
journal, July 2019
- Liu, Zixiang; Zhu, Yuanzheng; Clausen, Jonathan R.
- International Journal for Numerical Methods in Fluids, Vol. 91, Issue 5
Engineered Nanoparticles Interacting with Cells: Size Matters
text, January 2014
- Shang, L.; Nienhaus, K.; Nienhaus, G. U.
- Karlsruhe
Origin of hyperdiffusion in generalized Brownian motion
text, January 2010
- Siegle, P.; Goychuk, I.; Hanggi, P.
- arXiv
Spectral Ewald Acceleration of Stokesian Dynamics for polydisperse suspensions
text, January 2015
- Wang, Mu; Brady, John F.
- arXiv
Simulation of a Single Polymer Chain in Solution by Combining Lattice Boltzmann and Molecular Dynamics
text, January 1999
- Ahlrichs, Patrick; Duenweg, Burkhard
- arXiv
Model of platelet transport in flowing blood with drift and diffusion terms
journal, July 1991
- Eckstein, E. C.; Belgacem, F.
- Biophysical Journal, Vol. 60, Issue 1
Shear-induced particle migration and margination in a cellular suspension
journal, January 2012
- Zhao, Hong; Shaqfeh, Eric S. G.; Narsimhan, Vivek
- Physics of Fluids, Vol. 24, Issue 1
Predicting human blood viscosity in silico
journal, July 2011
- Fedosov, D. A.; Pan, W.; Caswell, B.
- Proceedings of the National Academy of Sciences, Vol. 108, Issue 29
Dynamics of the orientation behavior and its connection with rheology in sheared non-Brownian suspensions of anisotropic dicolloidal particles
journal, May 2011
- Kumar, Amit; Higdon, Jonathan J. L.
- Journal of Rheology, Vol. 55, Issue 3
Microcirculation and Hemorheology
journal, January 2005
- Popel, Aleksander S.; Johnson, Paul C.
- Annual Review of Fluid Mechanics, Vol. 37, Issue 1
Works referencing / citing this record:
Multiscale method based on coupled lattice‐Boltzmann and Langevin‐dynamics for direct simulation of nanoscale particle/polymer suspensions in complex flows
journal, July 2019
- Liu, Zixiang; Zhu, Yuanzheng; Clausen, Jonathan R.
- International Journal for Numerical Methods in Fluids, Vol. 91, Issue 5
A unified analysis of nano-to-microscale particle dispersion in tubular blood flow
journal, August 2019
- Liu, Z.; Clausen, J. R.; Rao, R. R.
- Physics of Fluids, Vol. 31, Issue 8
Occlusive thrombosis in arteries
journal, December 2019
- Kim, Dongjune; Bresette, Christopher; Liu, Zixiang
- APL Bioengineering, Vol. 3, Issue 4
Axisymmetric compact finite-difference lattice Boltzmann method for blood flow simulations
journal, October 2019
- Sakthivel, M.; Anupindi, Kameswararao
- Physical Review E, Vol. 100, Issue 4