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Computational Models for Nanoscale Fluid Dynamics and Transport Inspired by Nonequilibrium Thermodynamics1

机译:非平衡热力学启发的纳米尺度流体动力学和传输的计算模型1

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摘要

Traditionally, the numerical computation of particle motion in a fluid is resolved through computational fluid dynamics (CFD). However, resolving the motion of nanoparticles poses additional challenges due to the coupling between the Brownian and hydrodynamic forces. Here, we focus on the Brownian motion of a nanoparticle coupled to adhesive interactions and confining-wall-mediated hydrodynamic interactions. We discuss several techniques that are founded on the basis of combining CFD methods with the theory of nonequilibrium statistical mechanics in order to simultaneously conserve thermal equi-partition and to show correct hydrodynamic correlations. These include the fluctuating hydrodynamics (FHD) method, the generalized Langevin method, the hybrid method, and the deterministic method. Through the examples discussed, we also show a top-down mul-tiscale progression of temporal dynamics from the colloidal scales to the molecular scales, and the associated fluctuations, hydrodynamic correlations. While the motivation and the examples discussed here pertain to nanoscale fluid dynamics and mass transport, the methodologies presented are rather general and can be easily adopted to applications in convective heat transfer.
机译:传统上,流体中粒子运动的数值计算是通过计算流体动力学(CFD)解决的。然而,由于布朗力和流体动力之间的耦合,解决纳米粒子的运动提出了另外的挑战。在这里,我们专注于纳米粒子的布朗运动,其耦合到粘合剂相互作用和限制墙介导的水动力相互作用。我们讨论了在将CFD方法与非平衡统计力学理论相结合的基础上建立的几种技术,以便同时保存热均分并显示正确的流体动力学相关性。这些方法包括波动流体动力学(FHD)方法,广义Langevin方法,混合方法和确定性方法。通过讨论的示例,我们还显示了时间动态从胶体尺度到分子尺度的自上而下的多尺度进展,以及相关的涨落,流体动力学相关性。虽然此处讨论的动机和示例与纳米级流体动力学和质量传输有关,但所提供的方法相当笼统,可轻松应用于对流传热中。

著录项

  • 来源
    《Journal of Heat Transfer》 |2017年第3期|119-127|共9页
  • 作者单位

    Department of Chemical and Biomolecular Engineering Department of Bioengineering, University of Pennsylvania, Philadelphia, PA 19104;

    Department of Chemical and Biomolecular Engineering, University of Pennsylvania, Philadelphia, PA 19104;

    Department of Anesthesialogy and Critical Care Department of Bioengineering, University of Pennsylvania, Philadelphia, PA 19104;

    Department of Mechanical Engineering and Applied Mechanics, University of Pennsylvania, Philadelphia, PA 19104;

  • 收录信息 美国《科学引文索引》(SCI);美国《工程索引》(EI);
  • 原文格式 PDF
  • 正文语种 eng
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