Diffusion coefficients of cube-like particles for application to Brownian dynamics simulations

In the present study, we have analyzed the flow field around a cube in a Stokes flow regime in order to estimate the diffusion coefficients of cube-like particles that are required for performing Brownian dynamics simulations of a cubic particle suspension. The main results obtained here are summari...

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Main Authors: Kazuya OKADA, Akira SATOH
Format: Article
Language:Japanese
Published: The Japan Society of Mechanical Engineers 2019-02-01
Series:Nihon Kikai Gakkai ronbunshu
Subjects:
Online Access:https://www.jstage.jst.go.jp/article/transjsme/85/871/85_18-00476/_pdf/-char/en
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author Kazuya OKADA
Akira SATOH
author_facet Kazuya OKADA
Akira SATOH
author_sort Kazuya OKADA
collection DOAJ
description In the present study, we have analyzed the flow field around a cube in a Stokes flow regime in order to estimate the diffusion coefficients of cube-like particles that are required for performing Brownian dynamics simulations of a cubic particle suspension. The main results obtained here are summarized as follows. In the situation of a uniform flow field with a Reynolds number sufficiently smaller than unity, the force acts on the cube only in the flow field direction, and the torque does not act on the cube. Therefore, the uniform flow does not induce the rotational motion of the cube. In the situation of a rotational flow field with a sufficiently low Reynolds number, the torque acts on the cube only in the direction of angular velocity of the rotational flow field, and the force does not act on the cube. This implies that the translational motion of the cube is not induced due to the rotational flow field. These characteristics are in good agreement with those for the case of spheres in a Stokes flow situation. From these results, we may conclude that the diffusion coefficients of the cube-like particles can be expressed by applying a correction factor to those of the spherical particles. Moreover, we understand that the translational and the rotational motion of a cube are not coupled in the condition of the flow filed with a low Reynolds number sufficiently smaller than unity. Furthermore, in Brownian dynamics simulations, the equations of translational and rotational motion of cube-like particles can be treated in the same way as the spherical particles by applying the correction factor.
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spelling doaj.art-3814bbd7866746f3961574443ab5c36a2022-12-22T03:41:35ZjpnThe Japan Society of Mechanical EngineersNihon Kikai Gakkai ronbunshu2187-97612019-02-018587118-0047618-0047610.1299/transjsme.18-00476transjsmeDiffusion coefficients of cube-like particles for application to Brownian dynamics simulationsKazuya OKADA0Akira SATOH1Graduate School of Akita Prefectural UniversityFaculty of Systems Science and Technology, Akita Prefectural UniversityIn the present study, we have analyzed the flow field around a cube in a Stokes flow regime in order to estimate the diffusion coefficients of cube-like particles that are required for performing Brownian dynamics simulations of a cubic particle suspension. The main results obtained here are summarized as follows. In the situation of a uniform flow field with a Reynolds number sufficiently smaller than unity, the force acts on the cube only in the flow field direction, and the torque does not act on the cube. Therefore, the uniform flow does not induce the rotational motion of the cube. In the situation of a rotational flow field with a sufficiently low Reynolds number, the torque acts on the cube only in the direction of angular velocity of the rotational flow field, and the force does not act on the cube. This implies that the translational motion of the cube is not induced due to the rotational flow field. These characteristics are in good agreement with those for the case of spheres in a Stokes flow situation. From these results, we may conclude that the diffusion coefficients of the cube-like particles can be expressed by applying a correction factor to those of the spherical particles. Moreover, we understand that the translational and the rotational motion of a cube are not coupled in the condition of the flow filed with a low Reynolds number sufficiently smaller than unity. Furthermore, in Brownian dynamics simulations, the equations of translational and rotational motion of cube-like particles can be treated in the same way as the spherical particles by applying the correction factor.https://www.jstage.jst.go.jp/article/transjsme/85/871/85_18-00476/_pdf/-char/endiffusion coefficientfriction coefficientstokes flowresistance matrixbrownian dynamics simulation
spellingShingle Kazuya OKADA
Akira SATOH
Diffusion coefficients of cube-like particles for application to Brownian dynamics simulations
Nihon Kikai Gakkai ronbunshu
diffusion coefficient
friction coefficient
stokes flow
resistance matrix
brownian dynamics simulation
title Diffusion coefficients of cube-like particles for application to Brownian dynamics simulations
title_full Diffusion coefficients of cube-like particles for application to Brownian dynamics simulations
title_fullStr Diffusion coefficients of cube-like particles for application to Brownian dynamics simulations
title_full_unstemmed Diffusion coefficients of cube-like particles for application to Brownian dynamics simulations
title_short Diffusion coefficients of cube-like particles for application to Brownian dynamics simulations
title_sort diffusion coefficients of cube like particles for application to brownian dynamics simulations
topic diffusion coefficient
friction coefficient
stokes flow
resistance matrix
brownian dynamics simulation
url https://www.jstage.jst.go.jp/article/transjsme/85/871/85_18-00476/_pdf/-char/en
work_keys_str_mv AT kazuyaokada diffusioncoefficientsofcubelikeparticlesforapplicationtobrowniandynamicssimulations
AT akirasatoh diffusioncoefficientsofcubelikeparticlesforapplicationtobrowniandynamicssimulations