论文标题
杂化纳米复合材料的热运输增强；纳米多孔硅内的受限水的影响
Thermal transport enhancement of hybrid nanocomposites; impact of confined water inside nanoporous silicon
论文作者
论文摘要
这里介绍了多孔硅和纳米杂交“多孔硅/水”系统的热运输特性。使用平衡分子动力学技术评估了导热率，用于由球形空隙或充满水腔的多孔系统。我们揭示了纳米杂交系统的大量导热率提高，与它们的干多孔对应物相比，这无法通过有效的培养基理论捕获。热导率的这种增加与液体/固体界面的特定表面的增加有关。我们证明，原始多孔硅和“多孔硅液体/复合材料”的两个以上导热率的显着差异是由于液体密度波动接近“固体/液体界面”（分层效应）。对于界面区域的高比表面，这种效果变得越来越重要。具体而言，特定表面积为0.3（1/nm）的有效热导率的增强为50％，并且在表面与体积比的增加后，它进一步增加。我们的研究提供了对混合液体/固体纳米复合材料的热性能的宝贵见解，以及纳米多孔材料中狭窄液体的重要性。
The thermal transport properties of porous silicon and nano-hybrid "porous silicon/water" systems are presented here. The thermal conductivity was evaluated with equilibrium molecular dynamics technique for porous systems made of spherical voids or water-filled cavities. We revealed large thermal conductivity enhancement in the nano-hybrid systems as compared to their dry porous counterparts, which cannot be captured by effective media theory. This rise of thermal conductivity is related to the increases of the specific surface of the liquid/solid interface. We demonstrated that significant difference for more than two folds of thermal conductivity of pristine porous silicon and "porous silicon liquid/composite" is due to the liquid density fluctuation close to "solid/liquid interface" (layering effect). This effect is getting more important for the high specific surface of the interfacial area. Specifically, the enhancement of the effective thermal conductivity is 50 % for specific surface area of 0.3 (1/nm), and it increases further upon the increase of the surface to volume ratio. Our study provides valuable insights into the thermal properties of hybrid liquid/solid nanocomposites and about the importance of confined liquids within nanoporous materials.
