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Title: An integrated boundary approach for colloidal suspensions simulated using smoothed dissipative particle dynamics

Abstract

We report that in particle-based continuum solvers such as smoothed particle hydrodynamics (SPH) and smoothed dissipative particle dynamics (SDPD), one of the most significant challenges is the treatment of solid boundaries like walls and colloidal particles, whose presence leads to a truncation of the integral approximation, and hence, error in the numerical solution. In this work, we describe an integrated boundary framework for modeling colloidal suspensions composed of rigid spherical particles. The integral corresponding to the colloid's contribution is analytically evaluated, giving a simple and computationally inexpensive approach relative to conventional boundary particle techniques. We formulate a thermodynamically-consistent version of this top-down method for mesoscale simulations, in which the fluid exchanges momentum with the suspended particles due to thermal fluctuations, giving a framework for modeling the dynamics of colloids at arbitrary Reynolds and Péclet numbers. The resulting evolution equations are validated for a single colloidal particle in a fluid at constant temperature. This simple approach requires ~ Nc (p/m) R$$2\atop{c}$$ fewer pair force calculations relative to traditional boundary particle strategies, where Nc is the number of colloids in the system, Rc is the colloid radius, ρ is the colloid mass density, and m is the mass of the SDPD particles. Additionally, the use of integrated boundaries removes the need for rigid body constraint dynamics, giving an elegant and efficient basis for large-scale simulations of colloidal suspensions that is general and does not make any physical assumptions about the flow.

Authors:
 [1];  [2];  [2]
+ Show Author Affiliations
  1. Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
  2. Univ. of California, Santa Barbara, CA (United States)
Publication Date:
Research Org.:
Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE; National Science Foundation (NSF)
OSTI Identifier:
1484642
Report Number(s):
LA-UR-18-22657
Journal ID: ISSN 0045-7930
Grant/Contract Number:  
89233218CNA000001
Resource Type:
Accepted Manuscript
Journal Name:
Computers and Fluids
Additional Journal Information:
Journal Volume: 179; Journal ID: ISSN 0045-7930
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
42 ENGINEERING; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; smoothed dissipative particle dynamics; colloids; suspensions; hydrodynamics

Citation Formats

Petsev, Nikolai Dimitrov, Leal, L. Gary, and Shell, M. Scott. An integrated boundary approach for colloidal suspensions simulated using smoothed dissipative particle dynamics. United States: N. p., 2018. Web. doi:10.1016/j.compfluid.2018.11.025.
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Petsev, Nikolai Dimitrov, Leal, L. Gary, & Shell, M. Scott. An integrated boundary approach for colloidal suspensions simulated using smoothed dissipative particle dynamics. United States. https://doi.org/10.1016/j.compfluid.2018.11.025
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Petsev, Nikolai Dimitrov, Leal, L. Gary, and Shell, M. Scott. Sat . "An integrated boundary approach for colloidal suspensions simulated using smoothed dissipative particle dynamics". United States. https://doi.org/10.1016/j.compfluid.2018.11.025. https://www.osti.gov/servlets/purl/1484642.
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@article{osti_1484642,
title = {An integrated boundary approach for colloidal suspensions simulated using smoothed dissipative particle dynamics},
author = {Petsev, Nikolai Dimitrov and Leal, L. Gary and Shell, M. Scott},
abstractNote = {We report that in particle-based continuum solvers such as smoothed particle hydrodynamics (SPH) and smoothed dissipative particle dynamics (SDPD), one of the most significant challenges is the treatment of solid boundaries like walls and colloidal particles, whose presence leads to a truncation of the integral approximation, and hence, error in the numerical solution. In this work, we describe an integrated boundary framework for modeling colloidal suspensions composed of rigid spherical particles. The integral corresponding to the colloid's contribution is analytically evaluated, giving a simple and computationally inexpensive approach relative to conventional boundary particle techniques. We formulate a thermodynamically-consistent version of this top-down method for mesoscale simulations, in which the fluid exchanges momentum with the suspended particles due to thermal fluctuations, giving a framework for modeling the dynamics of colloids at arbitrary Reynolds and Péclet numbers. The resulting evolution equations are validated for a single colloidal particle in a fluid at constant temperature. This simple approach requires ~ Nc (p/m) R$2\atop{c}$ fewer pair force calculations relative to traditional boundary particle strategies, where Nc is the number of colloids in the system, Rc is the colloid radius, ρ is the colloid mass density, and m is the mass of the SDPD particles. Additionally, the use of integrated boundaries removes the need for rigid body constraint dynamics, giving an elegant and efficient basis for large-scale simulations of colloidal suspensions that is general and does not make any physical assumptions about the flow.},
doi = {10.1016/j.compfluid.2018.11.025},
journal = {Computers and Fluids},
number = ,
volume = 179,
place = {United States},
year = {Sat Nov 24 00:00:00 EST 2018},
month = {Sat Nov 24 00:00:00 EST 2018}
}
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