纳米多孔氩薄膜热导率的分子动力学模拟

利用经典的Lennard-Jones势能模型,采用分子动力学模拟方法研究纳米多孔氩薄膜热导率.结果表明,纳米多孔氩薄膜热导率明显小于同温度下纯纳米氩薄膜热导率,并且孔隙率越大热导率减小越多.借助基于并联方法的有效热导率模型,对纳米多孔氩薄膜的热导率随孔隙率的变化进行解释.模拟结果还发现,薄膜内的多孔分布对薄膜的热导率有影响.     

氧化多孔硅/聚合物复合膜的折射率

用Bruggeman模型理论，分析了氧化多孔硅/聚合物复合膜的等效折射率与多孔硅孔隙率、氧化度和嵌入率的关系.实验研究了嵌入PMMA材料的氧化多孔硅/聚合物膜的等效折射率.证实了在多孔硅中嵌入聚合物可使薄膜的光学参量保持稳定.     

梯度穿缝型双孔隙率多孔材料的吸声性能

在传统单一孔隙率多孔材料中引入宏观尺度的周期性梯度穿缝结构设计,构造出梯度穿缝型双孔隙率多孔材料,其包含多孔材料基体微孔尺度与穿缝尺度两个尺度。采用分层等效的理论建模方法,将复杂梯度渐变问题变为多层均匀等效层叠加问题。针对不同特征尺寸的多孔材料薄层,分别采用低、高两种渗透率对比度双孔隙率理论,给出了其等效密度和动态压缩系数,再应用传递矩阵方法得到了相邻薄层之间的声压和质点速度传递关系并求得其表面声阻抗,从而建立了梯度穿缝型双孔隙率多孔材料的吸声理论模型。发展了多尺度材料声学有限元数值模型,在所考虑的100~3000 Hz频段范围内数值模拟结果完全吻合理论模型结果。理论与模拟分析了多尺度结构参数对双孔隙率多孔材料吸声性能的影响,结果表明引入多尺度梯度结构设计能够显著提高单一孔隙率多孔材料的吸声性能,且穿缝尺度比穿缝梯度影响更为显著;精细数值模拟获得的声压和能量密度分布云图揭示了多尺度结构设计的吸声增强机制。该工作可用于指导双孔隙率多孔材料的多尺度结构设计,从而提高多孔材料的中低频吸声性能。      

随机结构多孔介质等效热导率数值计算

本文对二维颗粒弥散多孔介质的辐射导热耦合等效热导率进行了数值计算研究。首先采用随机生成结构方法(Random generate-growth method,RGGM)生成实际多孔材料的复杂结构。在此基础上,采用离散坐标法及有限容积法求解了复杂结构内部辐射导热耦合换热,进而计算得到材料的等效热导率。根据建立的材料随机结构模型及等效热导率数值计算模型,分别研究了衰减系数、弥散相体积分数、温度等因素对材料等效热导率的影响,并将数值计算结果与理论计算结果进行对比,吻合较好,反映出模型用于预测实际多孔材料等效热导率的有效性。     

气凝胶纳米多孔隔热材料传热计算模型的研究

本文研究并建立了气凝胶复合隔热材料传热计算模型.针对气凝胶纳米多孔材料的分形结构特征,结合规则交叉球杆结构,提出了气凝胶纳米多孔材料的分形交叉球杆结构模型,并以此结构模型为基础,建立了气凝胶纳米多孔材料热导率分形计算模型,模型中同时考虑了尺寸效应对气相、固相传热方式的影响.对气凝胶中添加的遮光剂、增强纤维等微米典型结构,以Mie辐射散射理论为基础,结合Rossland扩散近似模型,考虑了辐射传热对热量传递的增强作用;同时结合经典的两相系统等效热导率计算公式,获得复合材料的辐射导热耦合热导率计算模型.本文从纳米尺度的气凝胶多孔材料传热模型到微米尺度的气凝胶复合隔热材料传热模型,建立了完整的气凝胶纳米多孔复合隔热材料等效热导率计算模型.模型与多个文献中气凝胶材料热导率实验数值进行比较,获得了满意的结果,验证了模型应用于气凝胶复合隔热材料等效热导率预测计算方面的有效性.     

气凝胶单元体模型结构参数与等效热导率研究

本文基于二氧化硅气凝胶的微观结构特点,运用小球构成的立方阵列单元体纳米孔隙模型,结合固相导热和气相传热的尺度效应,计算得到了一定尺寸范围内材料的等效热导率,分析了材料密度、颗粒接触面积、材料比表面积等因素对材料等效热导率的影响。结果表明:存在使气凝胶等效热导率取最小值的最佳密度;在一定的密度范围内,孔隙率一定时,材料的等效热导率随比表面积的增大而减小;颗粒间接触界面直径与固相颗粒直径的比值越大,等效热导率越低,在该比值一定时,气孔的尺寸和分布成为影响模型等效热导率的关键因素。     

基于微拉曼光谱技术的氧化介孔硅热导率研究

利用基于有效介质理论的介孔硅传热机理,提出一个用于分析氧化介孔硅热导率的理论模型,对影响氧化介孔硅有效热导率的因素进行了理论分析,得出用于计算氧化介孔硅有效热导率的计算公式. 采用双槽电化学腐蚀法制备介孔硅,利用微拉曼光谱技术研究了氧化介孔硅热导率随所制备介孔硅孔隙率的变化规律,比较了经不同温度处理的氧化介孔硅的导热性能差异. 孔隙率为60%,73.4%和78.8%的所制备介孔硅经300℃氧化处理后,其热导率值为8.625W/(m·K),3.846W/(m·K)和1.817W/(m·K);孔隙率为73.4 关键词： 理论模型 氧化介孔硅 微拉曼光谱 有效热导率     

基于微拉曼光谱技术的氧化介孔硅热导率研究

利用基于有效介质理论的介孔硅传热机理，提出一个用于分析氧化介孔硅热导率的理论模型，对影响氧化介孔硅有效热导率的因素进行了理论分析，得出用于计算氧化介孔硅有效热导率的计算公式. 采用双槽电化学腐蚀法制备介孔硅，利用微拉曼光谱技术研究了氧化介孔硅热导率随所制备介孔硅孔隙率的变化规律，比较了经不同温度处理的氧化介孔硅的导热性能差异. 孔隙率为60%，73.4%和78.8%的所制备介孔硅经300℃氧化处理后，其热导率值为8.625W/(m·K)，3.846W/(m·K)和1.817W/(m·K)；孔隙率为73.4     

基于纳米压痕法的多孔硅硬度及杨氏模量与微观结构关系研究

采用电化学腐蚀制备多孔硅，利用场致发射扫描式电子显微镜(field emission scanning electron microscope，FESEM)观测多孔硅的二维微观形貌，利用Nano Indenter XP中的纳米轮廓扫描仪组件(nano profilometry, NP)得到其三维拓扑分析图像，分析了微观结构差异的原因并讨论了多孔硅内部微观结构对其机械性能的影响；利用MTS Nano Indenter XP纳米压入测量仪器，研究了多孔硅的显微硬度和杨氏模量随压入深度的变化规律，比较了不同孔隙率多孔硅的机械性能差别.实验结果测得40mA/cm²，60mA/cm²，80mA/cm²和100mA/cm²四个不同腐蚀电流密度条件下制备多孔硅样品的孔隙率在60%—80%范围内，孔隙率随着腐蚀电流密度的增加而增大；在氢氟酸(HF)浓度为20%的条件下制备出多孔硅样品的厚度在40μm—50μm范围内；测得多孔硅的平均硬度、平均杨氏模量分别在0.478GPa—1.171GPa和10.912GPa—17.15GPa范围内，并且其数值随腐蚀电流密度的增加而减小，在纳米硬度范围内随压入深度的增加而减小，在显微硬度范围内其数值保持相对恒定，分析了样品表面、厚度、微观结构，及环境对其机械性能的影响，得到了多孔硅力学性能随其微观尺度形貌的变化规律. 关键词： 多孔硅 微观结构 硬度 杨氏模量     

基片曲率法在多孔硅薄膜残余应力检测中的应用

通过基底曲率法设计和制作了一种测量薄膜应力的装置，它具有全场性、非接触性、高分辨率、无破坏、数据获取速度快等特点.使用该装置测量了电化学腐蚀法制作的多孔硅薄膜的残余应力，并研究了孔隙率和基底掺杂浓度对残余应力的影响，结果表明随着孔隙率的增加和硼离子掺杂浓度的提高，多孔硅表面的拉伸应力逐渐加大，由此表明多孔硅薄膜的微观结构与残余应力的大小有着密切的联系. 关键词： 薄膜 残余应力 孔隙率 多孔硅     

Thermal conductivity of micro/nano-porous polymers: Prediction models and applications

Micro/nano-porous polymeric material is considered a unique industrial material due to its extremely low thermal conductivity, low density, and high surface area. Therefore, it is necessary to establish an accurate thermal conductivity prediction model suiting their applicable conditions and provide a theoretical basis for expanding their applications. In this work, the development of the calculation model of equivalent thermal conductivity of micro/nano-porous polymeric materials in recent years is summarized. Firstly, it reviews the process of establishing the overall equivalent thermal conductivity calculation model for micro/nanoporous polymers. Then, the predicted calculation models of thermal conductivity are introduced separately according to the conductive and radiative thermal conductivity models. In addition, the thermal conduction part is divided into the gaseous thermal conductivity model, solid thermal conductivity model and gas–solid coupling model. Finally, it is concluded that, compared with other porous materials, there are few studies on heat transfer of micro/ nanoporous polymers, especially on the particular heat transfer mechanisms such as scale effects at the micro/nanoscale. In particular, the following aspects of porous polymers still need to be further studied: micro scaled thermal radiation, heat transfer characteristics of particular morphologies at the nanoscales, heat transfer mechanism and impact factors of micro/nanoporous polymers. Such studies would provide a more accurate prediction of thermal conductivity and a broader application in energy conversion and storage systems.     

Construction and mechanism analysis on nanoscale thermal cloak by in-situ annealing silicon carbide film

In recent years,there is a strong interest in thermal cloaking at the nanoscale,which has been achieved by using graphene and crystalline silicon films to build the nanoscale thermal cloak according to the classical macroscopic thermal cloak model.Silicon carbide,as a representative of the third-generation semiconductor material,has splendid properties,such as the high thermal conductivity and the high wear resistance.Therefore,in the present study,we build a nanoscale thermal cloak based on silicon carbide.The cloaking performance and the perturbation of the functional area to the external temperature filed are analyzed by the ratio of thermal cloaking and the response temperature,respectively.It is demonstrated that silicon carbide can also be used to build the nanoscale thermal cloak.Besides,we explore the influence of inner and outer radius on cloaking performance.Finally,the potential mechanism of the designed nanoscale thermal cloak is investigated by calculating and analyzing the phonon density of states(PDOS)and mode participation rate(MPR)within the structure.We find that the main reason for the decrease in the thermal conductivity of the functional area is phonon localization.This study extends the preparation method of nanoscale thermal cloaks and can provide a reference for the development of other nanoscale devices.     

二维多孔热密封材料的有效导热系数模拟

本文对于二维多孔热密封材料的有效导热系数模拟提出一种简单有效的方法,它可以模拟介于固相连续和固相不连续之间的任何形式的孔隙分布结构,通过类比多孔渗流模型得出一种相关系数,再根据热阻串并联的关系计算四种可计算模型的有效导热系数,通过相关系数得到具体模型的有效导热系数。本文的模拟方法可以控制孔隙率、孔径、孔隙分布、温度等影响有效导热系数的重要参数,考虑了辐射的影响,而且模拟简单,计算快速,模拟结果与文献中实验的结果相比较能很好的吻合,验证了本文方法的正确性。     

使用条件生成对抗网络生成预定导热率多孔介质

多孔介质在工程领域中的应用非常广泛,其中有效导热率和孔隙率为多孔介质材料非常重要的性质,得到一个符合需要的有效导热率和孔隙率的多孔介质材料具有重要意义.本文使用四参数随机生成方法制作了训练数据集,搭建了一个条件生成对抗网络(CGAN),使用预定的有效导热率和孔隙率作为输入,生成一个满足输入条件的多孔介质结构.特别地,由于多孔介质的孔隙结构分布对材料的有效导热率影响巨大,提出局部结构损失函数参与网络训练,使得网络更好地学习到孔隙分布与导热率之前的关系.通过使用格子Boltzmann方法验证神经网络生成的多孔介质结构的有效导热率,结果表明该方法能够快速且准确地生成预定参数的多孔介质结构.     

Molecular dynamics simulation of decomposition and thermal conductivity of methane hydrate in porous media

The hydrate has characteristics of low thermal conductivity and temperature sensitivity. To further analysis the mechanism of thermal conductivity and provide method for the exploitation, transportation and utilization of hydrate, the effect of decomposition and thermal conductivity of methane hydrate in porous media has been studied by using the molecular dynamics simulation. In this study, the simulation is carried out under the condition of temperature 253.15 K-273.15 K and pressure 1 MPa. The results show that the thermal conductivity of methane hydrate increases with the increase of temperature and has a faster growth near freezing. With the addition of porous media, the thermal conductivity of the methane hydrate improves significantly. The methane hydrate-porous media system also has the characteristics of vitreous body.With the decrease of the pore size of the porous media, thermal conductivity of the system increases gradually at the same temperature. It can be ascertained that the porous media of different pore sizes have strengthened the role of the thermal conductivity of hydrates.     

基于原子间相互作用的低温硅单晶负热膨胀机制的研究

运用晶格热膨胀的微扰理论,推导了硅晶体的热膨胀系数与原子间两体作用和三体作用的三阶力常数之间的关系公式,在此基础上对热膨胀系数的实验数据进行拟合,计算了硅晶体内的原子间两体和三体的三阶力常数,发现三体作用的三阶力常数为正数,是硅晶体在低温下具有负热膨胀性质的根本原因。计算与分析的结果表明,运用Stillinger-Weber模型得到的三阶力常数为负数,据此不可能计算得到低温下的负热膨胀系数,因此应该对该模型进行修正。     

基于原子间相互作用的低温硅单晶负热膨胀机制的研究

运用晶格热膨胀的微扰理论,推导了硅晶体的热膨胀系数与原子间两体作用和三体作用的三阶力常数之间的关系公式,在此基础上对热膨胀系数的实验数据进行拟合,计算了硅晶体内的原子间两体和三体的三阶力常数,发现三体作用的三阶力常数为正数,是硅晶体在低温下具有负热膨胀性质的根本原因。计算与分析的结果表明,运用Stillinger-Weber模型得到的三阶力常数为负数,据此不可能计算得到低温下的负热膨胀系数,因此应该对该模型进行修正。     

Effect of structure variation on thermal conductivity of hydrogenated silicon film

Hydrogenated silicon film was fabricated by using plasma enhanced chemical vapor deposition method. The influence of crystalline volume fraction variation on the thermal conductivity was investigated. The relation between crystalline volume and film thickness was characterized by using spectroscopic ellipsometry with Bruggeman effective medium (BEMA) model. The thermal conductivity of silicon film was measured based on Fourier thermal transmitting law using sputtering platinum as electrode. The results demonstrate that the thermal conductivity of silicon film is proportional to the volume fraction of crystalline silicon, and there is crystalline and thermal conductive gradient between surface and bottom in the microcrystalline film.     

The effective thermal conductivity of porous media based on statistical self-similarity

A fractal model is presented based on the thermal-electrical analogy technique and statistical self-similarity of fractal saturated porous media. A dimensionless effective thermal conductivity of saturated fractal porous media is studied by the relationship between the dimensionless effective thermal conductivity and the geometrical parameters of porous media with no empirical constant. Through this study, it is shown that the dimensionless effective thermal conductivity decreases with the increase of porosity (?) and pore area fractal dimension (Df) when ks/kg>1. The opposite trends is observed when ks/kg<1. In addition, the dimensionless effective thermal conductivity decreases with increasing tortuous fractal dimension (Dt). The model predictions are compared with existing experimental data and the results show that they are in good agreement with existing experimental data.