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Investigation of the aggregation morphology of nanoparticle on the thermal conductivity of nanofluid by molecular dynamics simulations

机译：分子动力学模拟研究纳米粒子在纳米流体导热性上的聚集形态

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Nanofluid can enhance heat transfer due to the suspending nanoparticles. The mechanism of heat transportation by nanoparticles remains unclear so far. Aggregation of nanoparticles, one of the important mechanisms to elevate the thermal conductivity of nanofluid, was proved by not a few researches. However, the aggregation morphology of nanoparticles evaluated by fractal dimension will greatly influence the thermal conductivity of nanofluid. In this paper, equilibrium molecular dynamics simulations were carried out to calculate the thermal conductivity via Green-Kubo formula. In contemporary, fractal dimensions of the aggregations with various morphologies were obtained by Schmidt-Ott equation. Comparisons of the fractal dimension and thermal conductivity of the nanofluid with same volume fraction show us that, lower fractal dimension can deduce greater thermal conductivity. In addition, the difference of loose and compact aggregation can be read out of the pair correlation function near nanoparticles. And the solvent atoms in nanolayer are mobilized and dynamically balanced. This is helpful for us to understand the influence of aggregation morphology of nanoparticles on the thermal conductivity of nanofluid. (C) 2018 Elsevier Ltd. All rights reserved.
机译：由于悬浮的纳米颗粒，纳米流体可以增强热传递。到目前为止，纳米颗粒的热传递机理仍不清楚。纳米粒子的聚集是提高纳米流体导热性的重要机制之一，但很少有研究证明。然而，通过分形维数评估的纳米颗粒的聚集形态将极大地影响纳米流体的热导率。本文通过Green-Kubo公式进行了分子平衡动力学模拟，计算了导热系数。在当代，通过Schmidt-Ott方程获得具有各种形态的聚集体的分形维数。比较相同体积分数的纳米流体的分形维数和热导率表明，较低的分形维数可以推导更大的热导率。另外，可以从纳米颗粒附近的对相关函数中读出松散和紧密聚集的差异。纳米层中的溶剂原子被动员并动态平衡。这有助于我们理解纳米颗粒的聚集形态对纳米流体导热系数的影响。 （C）2018 Elsevier Ltd.保留所有权利。

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