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

机译:圆柱形容器中纳米椭球的运动:布朗和   水动力相互作用

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摘要

We present comprehensive numerical studies of the motion of a buoyant or anearly neutrally buoyant nano-sized ellipsoidal particle in a fluid filledcylindrical tube without or with the presence of imposed pressure gradient(weak Poiseuille flow). The Fluctuating hydrodynamics approach and theDeterministic method are both employed. We ensure that thefluctuation-dissipation relation and the principle of thermal equipartition ofenergy are both satisfied. The major focus is on the effect of the confiningboundary. Results for the velocity and angular velocity autocorrelations (VACFand AVACF), diffusivities, and drag and lift forces as functions of shape,aspect ratio, inclination angle, and proximity to the wall are presented. Forthe parameters considered, the boundary modifies the VACF and AVACF such thatthree distinct regimes are discernible --- an initial exponential decay,followed by an algebraic decay culminating in a second exponential decay. Thefirst is due to thermal noise, the algebraic regime is due to both thermalnoise and hydrodynamic correlations, while the second exponential decay showsthe effect of momentum reflection from the confining wall. Our predictionsdisplay excellent comparison with published results for the algebraic regime(the only regime for which earlier results exist). We also discuss the role ofoff-diagonal elements of the mobility and diffusivity tensor that enables thequantification of the degree of lift and margination of the NC in the vessel.Our study covers a range of parameters that are of wide applicability innanotechnology and in targeted drug delivery related to the health sciences.
机译:我们提出了在不带或不带压力梯度(弱泊厄流)的情况下,充满流体的圆柱管中的纳米颗粒的浮力或早期中性浮力的运动的综合数值研究。波动流体力学方法和确定性方法都被采用。我们确保同时满足涨落-耗散关系和能量的热均分原理。主要关注边界边界的影响。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,长宽比,倾斜角度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,以使可以辨别三种不同的状态-初始指数衰减,然后是代数衰减,最后是第二次指数衰减。第一个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,而第二个指数衰减则表明了从约束壁反射动量的作用。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,这些元素可以量化血管中NC的升程和边缘度。我们的研究涵盖了在纳米技术和靶向药物输送中具有广泛适用性的一系列参数与健康科学有关。

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