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。     

Dielectric constant of porous ultra low-k dielectrics by fractal-Monte Carlo simulations

The effective dielectric constant of porous ultra low-k dielectrics is simulated by applying the fractal geometry and Monte Carlo technique in this work. Based on the fractal character of pore size distribution in porous media, the probability models for pore diameter and for effective dielectric constant are derived. The proposed model for the effective dielectric constant is expressed as a function of the dielectric coefficient of base medium and the volume fractions of pores and base medium, fractal dimension for pores, the pore size, as well as random number. The Monte Carlo simulations combined with the fractal geometry are performed. The predictions by the present simulations are shown in good accord with the available experimental data. The proposed technique may have the potential in analyzing other properties such as electrical conductivity and thermal conductivity in porous ultra low-k dielectrics.     

A Lattice Boltzmann Model for Fluid-Solid Coupling Heat Transfer in Fractal Porous Media

We report a lattice Boltzmann model that can be used to simulate fluid-solid coupling heat transfer in fractal porous media. A numerical simulation is conducted to investigate the temperature evolution under different ratios of thermal conductivity of solid matrix of porous media to that of fluid. The accordance of our simulation results with the solutions from the conventional CFD method indicates the feasibility and the reliability for the developed lattice Boltzmann model to reveal the phenomena and rules of fluid-solid coupling heat transfer in complex porous structures.     

Non-stationary heat conduction of a porous medium

The thermal diffusion process is examined for a porous sample with idealized arrangement and form of the pores, when its surface is illuminated by a modulated light. A formula for the frequency dependence of the average surface temperature is derived. It is shown that it depends on the porosity, the form of the pores, and the ratio between a characteristic pore size and the thermal wavelength. In the limiting cases of low frequency of modulation and low porosity the results agree well with those quoted in the literature. The frequency dependence of the surface temperature of a microporous rubber sample, glass filtering crucibles, and leather samples have been measured by a PA cell and compared with the analytical results. The influence of various processes on the heat diffusion in porous media is discussed.     

介孔材料MCM-41的导热研究

文章根据二氧化硅介孔材料MCM-41纳米孔结构特点,首先建立和验证了纳米结构单元模型,然后使用平衡分子动力学方法模拟了孔壁热导率;接着耦合孔隙内气体导热,开展了一维传热分析,最终提炼出MCM-41的有效热导率表达式;并对壁厚、孔径和孔隙率对热导率的影响进行了分析.研究结果表明,MCM-41具有良好的绝热性能,其有效热导率随孔隙率增大近似呈线性减小,且表现出各向异性;导热性能沿孔道长度方向表现出准一维特性. 关键词： 有效热导率 介孔材料 MCM-41 平衡分子动力学     

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.     

非均匀多孔介质有效热导率分析

本文采用控制容积法,界面调和平均导热系数值以及图形处理方法对典型非均匀多孔介质硬质聚氨酯泡沫材料的导热过程进行了分析与模拟计算。结果表明:多孔介质的内部结构是影响温度分布和热量传递的主要的因素,其影响程度与骨架和孔隙的导热系数,孔隙的大小和分布有关;计算得到的有效热导率值与文献中实验测量结果吻合较好。本文的研究结果可以推广到更为复杂的非均匀多孔介质的场合,从而可以进一步认识非均匀多孔介质中的导热规律,为工程计算提供更精确的计算方法。     

Prediction of effective stagnant thermal conductivities of porous materials at high temperature by the generalized self-consistent method

The generalized self-consistent method is developed to deal with porous materials at high temperature, accounting for thermal radiation. An exact closed form formula of the local effective thermal conductivity is obtained by solving Laplace's equation, and a good approximate formula with uncoupled conductive and radiative effects is given. A comparison with available experimental data and theoretical predictions demonstrates the accuracy and efficiency of the present formula. Numerical examples provide a better understanding of interesting interaction phenomena of pores in heat transfer. It is found that the local effective thermal conductivity divides into two parts. One, attributed to conduction, is independent of pore radius for a fixed porosity and, furthermore, is independent of temperature (actually, it is approximately independent of the temperature) if it is non-dimensionalized by the thermal conductivity of the matrix. The other is due to thermal radiation in pores and strongly depends on the temperature and pore radius. The radiation effect can not be neglected at high temperature and in the case of relatively large pores.     

分形多孔介质中的热传导

本文将多孔介质视为由骨架和空隙组成的二元混合介质,研究了多孔介质中的热传导过程,发现分形结构中的导热规律与孔隙的分布有关,存在着与实体导热完全不同的特征。计算表明,分形介质中的导热过程除了与基质(骨架)的分形维数有关外,还与基质率以及反映介质中热量传递动态过程有关。     

From compact point defects to extended structures in silicon

We show that in contrast to the 1d Frenkel-Kontorova (FK) chain known to obey the Fourier law of heat conduction and several 2d models which show logarithmic dependence of conductivity on system size, a scalar 2d FK lattice with commensurate structure exhibits anomalous heat conduction, whose thermal conductivity displays a power law behavior. The dependence of thermal gradient on bulk temperature and noise correlation is critically analyzed. A dynamical contribution to conductivity when the system attains a nonequilibrium steady state of thermal conduction has been identified.     

生物组织的当量导热系数分析

导热对研究冷刀治疗的传热过程很重要.为了对冷刀治疗热过程有更好的理解,本文研究了生物组织的当量导热系数以及相关因素对当量导热系数的影响.将生物组织视为多孔介质,包括血管和正常组织两部分.建立了血管的分形模型,通过分形维的概念得到血管树的当量导热系数,采用盒计数法得到生物组织的当量导热系数.研究结果表明血管树的形状对组织的当量导热系数有很大的影响.     

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.     

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。     

Pore-size dependence of the heat conduction in porous silicon and phonon spectral energy density analysis

Semiconductor devices made of silicon material have been widely used due to its excellent thermoelectrical properties. Here, the silicon material with aligned distributed rectangular-shaped holes is proposed for the manufacture of semiconductor device. Comprehensive understanding the heat conduction is of great significance to improve the efficiency of the thermoelectrical materials. This letter investigates the thermal conductivity of nanoscale porous silicon structures by adopting the nonequilibrium molecular dynamics method. The results demonstrate that the temperature is sensitive to the sizes of the rectangular-shaped holes. Additionally, it is found that the effective thermal conductivity significantly decreases with the increase of the dimensions of the holes. Our work reveals that the key to reduce the effective thermal conductivity is to disturb the distribution of heat flux. Furthermore, the phonon spectral energy density method is used to obtain the phonon dispersion and phonon energy in the frequency domain.     

基于分形理论的多孔介质导热系数研究

本文根据分形理论,对多孔介质几何结构进行了描述,计算出了不同孔隙率多孔介质简化模型的剖面面积分布分形维数d,并利用分形维数结合土壤导热模型推出了土壤的有效导热系数表达式,计算结果表明,该方法是符合客观实际的．     

考虑弥散效应的多孔介质中超绝热燃烧的数值模拟

研究多孔介质内往复流动下的超绝热燃烧。一维模型包括气体输运、多孔介质固体的辐射、导热和气固两相间的对流换热。通过数值计算研究超绝热燃烧的形成、以及弥散效应、当量比和多孔介质材料本身对超绝热燃烧特性的影响。计算结果的有效性通过实验进行了验证并取得了相同的趋势。结果表明,组分弥散效应对气体温度分布和反应热影响很小;同一工况下,不考虑气体混合物的热弥散效应,会导致过高的气体温度计算值。同时,计算结果表明小孔径的多孔介质更有利于贫可燃极限的扩展,对30 ppi的多孔介质燃烧器,得到了当量比为0．092的可燃极限。     

基于微结构参数建模的多孔硅绝热层热导率研究

多孔硅由于具有较低的热导率,因而可以将其作为半导体器件中的绝热层.与其他从边界散射等复杂微观热传导机制出发建模研究多孔硅的热导率不同,将多孔硅热导率影响机制更表观地归结到孔洞的存在和分布等结构因素上,把整个多孔硅视为由硅连续材料介质和孔洞连续介质通过串联和并联组合成的复合微结构,给予其低热导率一个更为易于理解和简化的解释.进一步把孔隙率对等效热导率的影响分解为两个不同的部分,即纵向部分和横向部分,半定量地给出不同的孔洞结构和分布下孔隙率与等效热导率的关系.与实验数据进行对比后验证了模型的有效性.继而从结构的角度说明了多孔硅热导率较低的原因.     

硅纳米薄膜中声子弹道扩散导热的蒙特卡罗模拟

通过建立声子散射概率函数描述声子在输运过程中的散射,提出了一种模拟声子弹道扩散导热的蒙特卡罗方法,并将其应用于硅纳米薄膜中的稳态和瞬态弹道扩散导热过程的研究. 提出的蒙特卡罗方法对边界发射的声子束进行跟踪,根据散射概率函数模拟声子束在传播区域内经历的散射过程,并通过统计声子束的分布得到温度分布. 稳态导热过程的模拟发现,尺寸效应会引起边界温度跳跃,其值随着Knudsen数的增大而增大;计算的硅纳米薄膜的热导率随着厚度的增大而增大,与文献中的实验数据和理论模型相符. 通过瞬态导热过程的模拟得到了纳米薄膜内的温度分布随时间的变化,发现瞬态导热过程中的热波现象与空间尺度相关,材料尺寸越小,弹道输运越强,薄膜中的热波现象也越显著. 关键词： 纳米薄膜 弹道扩散导热 蒙特卡罗模拟 尺寸效应     

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.     

Theoretical analysis of thermal rectification in a bulk Si/nanoporous Si device

We present a theoretical analysis of thermal rectification in a porous Si/bulk Si device, taking into account ballistic effects in phonon-pore collisions when phonon mean free path is much longer than the radius of the pores. Starting from an approximate analytical expression for the effective thermal conductivity of porous Si, we obtain the thermal rectifying coefficient of the device as a function of porosity, pore size, temperature interval, and relative lengths of porous and bulk samples.