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Motion of a nano-spheroid in a cylindrical vessel flow: Brownian and hydrodynamic interactions

机译:纳米球体在圆柱状容器流中的运动:布朗和流体动力相互作用

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摘要

We study the motion of a buoyant or a nearly neutrally buoyant nano-sized spheroid in a fluid filled tube without or with an imposed pressure gradient (weak Poiseuille flow). The fluctuating hydrodynamics approach and the deterministic method are both employed. We ensure that the fluctuation–dissipation relation and the principle of thermal equipartition of energy are both satisfied. The major focus is on the effect of the confining boundary. Results for the velocity and the angular velocity autocorrelations (VACF and AVACF), the diffusivities and the drag and the lift forces as functions of the shape, the aspect ratio, the inclination angle and the proximity to the wall are presented. For the parameters considered, the boundary modifies the VACF and AVACF such that three distinct regimes are discernible – an initial exponential decay followed by an algebraic decay culminating in a second exponential decay. The first is due to the thermal noise, the algebraic regime is due both to the thermal noise and the hydrodynamic correlations, while the second exponential decay shows the effect of momentum reflection from the confining wall. Our predictions display excellent comparison with published results for the algebraic regime (the only regime for which earlier results exist). We also discuss the role of the off-diagonal elements of the mobility and the diffusivity tensors that enable the quantifications of the degree of lift and margination of the nanocarrier. Our study covers a range of parameters that are of wide applicability in nanotechnology, microrheology and in targeted drug delivery.
机译:我们研究了在没有压力梯度或有压力梯度(弱泊泊流)的情况下,充满流体的管中漂浮的或接近中性的纳米球体的运动。波动流体力学方法和确定性方法都被采用。我们确保同时满足波动-耗散关系和能量的热分配原理。主要关注限制边界的影响。给出了速度和角速度自相关(VACF和AVACF),扩散率以及阻力和升力与形状,纵横比,倾斜角和与墙的接近程度的关系的结果。对于所考虑的参数,边界会修改VACF和AVACF,以便可以区分三种不同的状态-初始指数衰减,然后是代数衰减,最后是第二次指数衰减。第一种是由于热噪声引起的,代数形式是由于热噪声和流体动力学的相关性引起的,而第二种指数衰减则显示了从围壁反射动量的作用。我们的预测与代数形式(存在较早结果的唯一形式)的已发表结果进行了很好的比较。我们还讨论了迁移率和扩散率张量的非对角线元素的作用,从而可以量化纳米载体的提升和边缘化程度。我们的研究涵盖了在纳米技术,微流变学和靶向药物输送中具有广泛适用性的一系列参数。

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