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Enhanced thermal conductivity in percolating nanocomposites: a molecular dynamics investigation
Nanoscale ( IF 5.8 ) Pub Date : 2018-10-23 00:00:00 , DOI: 10.1039/c8nr05734f Konstantinos Termentzidis 1, 2, 3, 4, 5 , Valentina M. Giordano 6, 7, 8, 9, 10 , Maria Katsikini 11, 12, 13, 14 , Eleni Paloura 11, 12, 13, 14 , Gilles Pernot 15, 16, 17, 18, 19 , Maxime Verdier 15, 16, 17, 18, 19 , David Lacroix 15, 16, 17, 18, 19 , Ioannis Karakostas 15, 16, 17, 18, 19 , Joseph Kioseoglou 11, 12, 13, 14
Nanoscale ( IF 5.8 ) Pub Date : 2018-10-23 00:00:00 , DOI: 10.1039/c8nr05734f Konstantinos Termentzidis 1, 2, 3, 4, 5 , Valentina M. Giordano 6, 7, 8, 9, 10 , Maria Katsikini 11, 12, 13, 14 , Eleni Paloura 11, 12, 13, 14 , Gilles Pernot 15, 16, 17, 18, 19 , Maxime Verdier 15, 16, 17, 18, 19 , David Lacroix 15, 16, 17, 18, 19 , Ioannis Karakostas 15, 16, 17, 18, 19 , Joseph Kioseoglou 11, 12, 13, 14
Affiliation
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In this work we present a molecular dynamics investigation of thermal transport in a silica–gallium nitride nanocomposite. A surprising enhancement of the thermal conductivity for crystalline volume fractions larger than 5% is found, which cannot be predicted by an effective medium approach, not even including percolation effects, the model systematically leading to an underestimation of the effective thermal conductivity. The behavior can instead be reproduced if an effective volume fraction twice larger than the real one is assumed, which translates into a percolation effect surprisingly stronger than the usual one. Such a scenario can be understood in terms of a phonon tunneling between inclusions, enhanced by the iso-orientation of all particles. Indeed, if a misorientation is introduced, the thermal conductivity strongly decreases. We also show that a percolating nanocomposite clearly stands in a different position than other nanocomposites, where thermal transport is dominated by the interface scattering and where parameters such as the interface density play a major role, differently from our case.
中文翻译：
渗流纳米复合材料中增强的导热性：分子动力学研究
在这项工作中，我们提出了一种在二氧化硅-氮化镓纳米复合材料中热传输的分子动力学研究。发现对于大于5％的晶体体积分数，导热率的令人惊讶的提高，这不能通过有效的介质方法来预测，甚至不包括渗滤效应，该模型系统地导致有效导热率的低估。如果假定有效体积分数是真实体积的两倍，则可以重现该行为，这将导致渗透效果出乎意料地强于普通体积。可以通过夹杂物之间的声子隧穿来理解这种情况，并通过所有粒子的同向性增强了声子隧穿。实际上，如果引入了取向错误，则热导率会大大降低。
更新日期：2018-10-23
中文翻译：
渗流纳米复合材料中增强的导热性：分子动力学研究
在这项工作中，我们提出了一种在二氧化硅-氮化镓纳米复合材料中热传输的分子动力学研究。发现对于大于5％的晶体体积分数，导热率的令人惊讶的提高，这不能通过有效的介质方法来预测，甚至不包括渗滤效应，该模型系统地导致有效导热率的低估。如果假定有效体积分数是真实体积的两倍，则可以重现该行为，这将导致渗透效果出乎意料地强于普通体积。可以通过夹杂物之间的声子隧穿来理解这种情况，并通过所有粒子的同向性增强了声子隧穿。实际上，如果引入了取向错误，则热导率会大大降低。
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