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Title: Nanoparticle transport in cellular blood flow

Abstract

In this paper, the biotransport of the intravascular nanoparticle (NP) is influenced by both the complex cellular flow environment and the NP characteristics. Being able to computationally simulate such intricate transport phenomenon with high efficiency is of far-reaching significance to the development of nanotherapeutics, yet challenging due to large length-scale discrepancies between NP and red blood cell (RBC) as well as the complexity of nanoscale particle dynamics. Recently, a lattice-Boltzmann (LB) based multiscale simulation method has been developed to capture both NP–scale and cell–level transport phenomenon at high efficiency. The basic components of this method include the LB treatment for the fluid phase, a spectrin-link method for RBCs, and a Langevin dynamics (LD) approach to capturing the motion of the suspended NPs. Comprehensive two-way coupling schemes are established to capture accurate interactions between each component. The accuracy and robustness of the LB–LD coupling method are demonstrated through the relaxation of a single NP with initial momentum and self-diffusion of NPs. This approach is then applied to study the migration of NPs in micro-vessels under physiological conditions. It is shown that Brownian motion is most significant for the NP distribution in 20 μm venules. For 1 ~ 100 nm particles, themore » Brownian diffusion is the dominant radial diffusive mechanism compared to the RBC-enhanced diffusion. For ~500 nm particles, the Brownian diffusion and RBC-enhanced diffusion are comparable drivers for the particle radial diffusion process.« less

Authors:
ORCiD logo [1]; ORCiD logo [1];  [2];  [2];  [1]
  1. Georgia Inst. of Technology, Atlanta, GA (United States)
  2. 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:
1465185
Report Number(s):
SAND-2018-7974J
Journal ID: ISSN 0045-7930; 666000
Grant/Contract Number:  
AC04-94AL85000
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Computers and Fluids
Additional Journal Information:
Journal Volume: 172; Journal Issue: C; Journal ID: ISSN 0045-7930
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
77 NANOSCIENCE AND NANOTECHNOLOGY; Nanoparticle; Biotransport; Blood flow; Brownian motion; Margination; RBC-enhanced diffusion

Citation Formats

Liu, Zixiang, Zhu, Yuanzheng, Rao, Rekha R., Clausen, Jonathan R., and Aidun, Cyrus K.. Nanoparticle transport in cellular blood flow. United States: N. p., 2018. Web. doi:10.1016/j.compfluid.2018.03.022.
Liu, Zixiang, Zhu, Yuanzheng, Rao, Rekha R., Clausen, Jonathan R., & Aidun, Cyrus K.. Nanoparticle transport in cellular blood flow. United States. doi:10.1016/j.compfluid.2018.03.022.
Liu, Zixiang, Zhu, Yuanzheng, Rao, Rekha R., Clausen, Jonathan R., and Aidun, Cyrus K.. Mon . "Nanoparticle transport in cellular blood flow". United States. doi:10.1016/j.compfluid.2018.03.022.
@article{osti_1465185,
title = {Nanoparticle transport in cellular blood flow},
author = {Liu, Zixiang and Zhu, Yuanzheng and Rao, Rekha R. and Clausen, Jonathan R. and Aidun, Cyrus K.},
abstractNote = {In this paper, the biotransport of the intravascular nanoparticle (NP) is influenced by both the complex cellular flow environment and the NP characteristics. Being able to computationally simulate such intricate transport phenomenon with high efficiency is of far-reaching significance to the development of nanotherapeutics, yet challenging due to large length-scale discrepancies between NP and red blood cell (RBC) as well as the complexity of nanoscale particle dynamics. Recently, a lattice-Boltzmann (LB) based multiscale simulation method has been developed to capture both NP–scale and cell–level transport phenomenon at high efficiency. The basic components of this method include the LB treatment for the fluid phase, a spectrin-link method for RBCs, and a Langevin dynamics (LD) approach to capturing the motion of the suspended NPs. Comprehensive two-way coupling schemes are established to capture accurate interactions between each component. The accuracy and robustness of the LB–LD coupling method are demonstrated through the relaxation of a single NP with initial momentum and self-diffusion of NPs. This approach is then applied to study the migration of NPs in micro-vessels under physiological conditions. It is shown that Brownian motion is most significant for the NP distribution in 20 μm venules. For 1 ~ 100 nm particles, the Brownian diffusion is the dominant radial diffusive mechanism compared to the RBC-enhanced diffusion. For ~500 nm particles, the Brownian diffusion and RBC-enhanced diffusion are comparable drivers for the particle radial diffusion process.},
doi = {10.1016/j.compfluid.2018.03.022},
journal = {Computers and Fluids},
number = C,
volume = 172,
place = {United States},
year = {Mon Mar 05 00:00:00 EST 2018},
month = {Mon Mar 05 00:00:00 EST 2018}
}

Journal Article:
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