Dynamics of a bottom-heavy Janus particle near a wall under shear flow.

IF 2.9 3区 化学 Q3 CHEMISTRY, PHYSICAL
Soft Matter Pub Date : 2025-06-26 DOI:10.1039/d5sm00229j
Zohreh Jalilvand, Daniele Notarmuzi, Ubaldo M Córdova-Figueroa, Emanuela Bianchi, Ilona Kretzschmar
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Abstract

In this study, Brownian dynamics simulations are implemented to investigate the motion of a bottom-heavy Janus particle near a wall under varying shear flow conditions and at small Péclet (Pe) numbers. The stochastic motion of the Janus particle impacted by surface forces is described using a set of coupled Langevin equations that takes into account the Janus particle orientation. Interactions arising from surface potentials are found to depend on the separation distance between the Janus particle and the wall, the properties of the surfaces involved, and the thickness of the Janus particle cap. When shear flow is introduced in the system, the dynamical behavior of the Janus particle is also governed by the strain rate. Furthermore, the effect of friction on the dynamical behavior of the Janus particle under shear flow is investigated and reveals that the rotational motion of the Janus particle slows down slightly when the particle is close to the surface. In summary, we demonstrate the ability to utilize Brownian dynamics simulations to capture the rich dynamical behavior of a bottom-heavy Janus particle near a wall and under a range of shear flow conditions, cap thicknesses, and surface charges.

剪切流作用下靠近壁面的重底Janus颗粒动力学。
在这项研究中,采用布朗动力学模拟来研究在不同剪切流动条件下,在小pacclet (Pe)数下,底部重的Janus粒子在壁面附近的运动。用一组耦合朗格万方程描述了受表面力影响的Janus粒子的随机运动,该方程考虑了Janus粒子的方向。发现由表面电位引起的相互作用取决于Janus颗粒与壁面之间的分离距离,所涉及的表面性质以及Janus颗粒帽的厚度。当系统中引入剪切流时,Janus颗粒的动态行为也受应变率的控制。此外,还研究了摩擦对Janus颗粒在剪切流动下的动力学行为的影响,结果表明,当Janus颗粒靠近表面时,其旋转运动略有减慢。总之,我们展示了利用布朗动力学模拟的能力,以捕捉底部重的Janus粒子在壁面附近和一系列剪切流动条件、帽厚和表面电荷下的丰富动力学行为。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Soft Matter
Soft Matter 工程技术-材料科学:综合
CiteScore
6.00
自引率
5.90%
发文量
891
审稿时长
1.9 months
期刊介绍: Soft Matter is an international journal published by the Royal Society of Chemistry using Engineering-Materials Science: A Synthesis as its research focus. It publishes original research articles, review articles, and synthesis articles related to this field, reporting the latest discoveries in the relevant theoretical, practical, and applied disciplines in a timely manner, and aims to promote the rapid exchange of scientific information in this subject area. The journal is an open access journal. The journal is an open access journal and has not been placed on the alert list in the last three years.
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