导热系数测量系统的数值模拟

对中国计量科学研究院的稳态保护热平板导热系数测量系统的温度场分布进行数值计算,并在此基础上对实验材料内测温点的选择进行了分析.结果表明,测温点复盖了实验材料内温度的最低和最高点,且呈线性分布,满足实验材料导热系数测量所需温度梯度测量的要求.此外,对热流密度测量的探讨发现,热流密度测量范围的确定是实现精密测量导热系数的关键.     

几种纳米管导热性的分子动力学模拟

采用平衡态分子动力学方法,计算了不同直径的单壁碳、硅、锗、碳化硅、氮化硼纳米管的导热系数,得到了导热系数随温度、直径变化的曲线;进而根据这些曲线,讨论了直径、温度等因素对几种纳米管导热性的影响,以及不同纳米管之间导热系数的差异。研究结果表明,各单壁纳米管的导热系数均随温度的升高以及直径的增大而降低;在模拟的温度范围(<2200K)内,温度相同时,几种纳米管的导热系数由大到小有如下的排序:碳、氮化硼、硅、锗和碳化硅,其中,锗和碳化硅纳米管的导热性相当。     

霜层综合导热系数的研究

提出了霜层综合导热系数概念。认为霜层导热系数除了应考虑霜层结构复杂性还应计及蒸汽凝华潜热释放的影响。从霜层能量平衡分析出发，导出霜层综合导热系数是霜层有效导热系数和蒸汽有效导热系数之和。据此计算的霜层综合导热系数与实验数据符合较好。     

冷冻液导热系数的快速测定

本文介绍了用瞬态热丝法快速测定低温冷冻液的导热系数的方法,简述了测试原理、装置、并给出有关的测试结果和误差分析。     

瞬态热线法导热系数测量的数值模拟

利用有限元方法对瞬态热线法导热系数测量进行了数值模拟,对各种因素如加热功率、热线半径以及实验温度等对测量过程的影响进行了分析,并将模拟得到的温升曲线与实验测量得到的温升曲线进行了比较,结果表明:通过选择适当的参数值,模拟曲线可以与实测曲线吻合得很好,实验值与模拟值的偏差小于实验结果的不确定度.本结果的获得对进一步理解瞬态热线法导热系数测量过程,提高导热系数测量技术水平具有借鉴意义.     

平行线比较法测量材料导热系数的研究

作者在平行线法的基础上提出了一种改进的新方法—平行线比较法。文中阐述了该法的理论基础及测试结果,并探讨了修正的方法。指出了该法具有简便、实用、测试范围广、尤其适合于测定硬质材料的导热系数的优点。     

低温导热系数测量的影响因素

结合一个棒状试样导热系数测试装置,研讨了在低温导热系数测试中的影响因素,提出了一些减少误差的方法。     

高分子聚合材料的导热系数测定

讨论了平板法测量导热系数的原理。介绍了导热仪的结构。给出了对新型高导热性能有机高分子材料的导热系数测试结果。测试表明,此导热仪可对不良导热材料进行低于０℃的测量,填补了国内这方面的空白。     

薄膜导热系数的测量方法及技术

随着微型机电系统及集成电路的发展,器件中大量使用了微米、纳米量级厚度的薄膜,对其导热系数测量的研究有助于器件的设计和热优化工作。综述了当前几种测量薄膜导热系数的主要方法及技术,分析了各自的优点及不足,并对其以后的发展趋势做了简要分析。     

Molecular Dynamics Simulations for Anisotropic Thermal Conductivity of Borophene

The present work carries out molecular dynamics simulations to compute the thermal conductivity of the borophene nanoribbon and the borophene nanotube using the Muller-Plathe approach. We investigate the thermal conductivity of the armchair and zigzag borophenes, and show the strong anisotropic thermal conductivity property of borophene. We compare results of the borophene nanoribbon and the borophene nanotube, and find the thermal conductivity of the borophene is orientation dependent.The thermal conductivity of the borophene does not vary as changing the width of the borophene nanoribbon and the perimeter of the borophene nanotube. In addition, the thermal conductivity of the borophene is not sensitive to the applied strains and the background temperatures.     

Transient Nonequilibrium Molecular Dynamic Simulations of Thermal Conductivity: 1. Simple Fluids

Thermal conductivity has been previously obtained from molecular dynamics (MD) simulations using either equilibrium (EMD) simulations (from Green--Kubo equations) or from steady-state nonequilibrium (NEMD) simulations. In the case of NEMD, either boundary-driven steady states are simulated or constrained equations of motion are used to obtain steady-state heat transfer rates. Like their experimental counterparts, these nonequilibrium steady-state methods are time consuming and may have convection problems. Here we report a new transient method developed to provide accurate thermal conductivity predictions from MD simulations. In the proposed MD method, molecules that lie within a specified volume are instantaneously heated. The temperature decay of the system of molecules inside the heated volume is compared to the solution of the transient energy equation, and the thermal diffusivity is regressed. Since the density of the fluid is set in the simulation, only the isochoric heat capacity is needed in order to obtain the thermal conductivity. In this study the isochoric heat capacity is determined from energy fluctuations within the simulated fluid. The method is valid in the liquid, vapor, and critical regions. Simulated values for the thermal conductivity of a Lennard-Jones (LJ) fluid were obtained using this new method over a temperature range of 90 to 900 K and a density range of 1–35 kmol · m^-3. These values compare favorably with experimental values for argon. The new method has a precision of ±10%. Compared to other methods, the algorithm is quick, easy to code, and applicable to small systems, making the simulations very efficient.Paper presented at the Fifteenth Symposium on Thermophysical Properties, June 22--27, 2003, Boulder, Colorado, U.S.A.     

Thermal Conductivity of Small Nickel Particles

The thermal conductivity of nanoscale nickel particles due to phonon heat transfer is extrapolated from thin film results calculated using nonequilibrium molecular dynamics (NEMD). The electronic contribution to the thermal conductivity is deduced from the electrical conductivity using the Wiedemann–Franz law. Based on the relaxation time approximation, the electrical conductivity is calculated with the Kubo linear-response formalism. At the average temperature of T=300 K, which is lower than the Debye temperature Θ_D=450 K, the results show that in a particle size range of 1.408–10.56 nm, the calculated thermal conductivity decreases almost linearly with decreasing particle size, exhibiting a remarkable reduction compared with the bulk value. The phonon mean free path is estimated, and the size effect on the thermal conductivity is attributed to the reduction of the phonon mean free path according to the kinetic theory.     

碳化硅纳米线增强多孔碳化硅陶瓷基复合材料的制备

构建多孔碳化硅纳米线(SiCNWs)网络并控制化学气相渗透(CVI)过程,可设计并获得轻质、高强度和低导热率SiC复合材料。首先将SiCNWs和聚乙烯醇(PVA)混合,制备具有最佳体积分数(15.6%)和均匀孔隙结构的SiCNWs网络;通过控制CVI参数获得具有小而均匀孔隙结构的SiCNWs增强多孔SiC(SiCNWs/SiC)陶瓷基复合材料。SiC基体形貌受沉积参数(如温度和反应气体浓度)的影响,从球状颗粒向六棱锥颗粒形状转变。SiCNWs/SiC陶瓷基复合材料的孔隙率为38.9%时,强度达到(194.3±21.3) MPa,导热系数为(1.9 ± 0.1) W/(m∙K),显示出增韧效果,并具有低导热系数。     

辐照条件下SiC晶界导热性能的分子动力学分析

SiC材料由于具有优良的物理化学性质而在工程领域得到广泛应用。但在辐照条件下,Frenkel缺陷势必影响材料的宏观性质。尤其在核能工程领域,辐照无法避免,而传热性质是材料的关键性质之一。本文采用分子动力学方法模拟了SiC材料晶界导热性质在辐照缺陷存在条件下的变化规律。研究结果表明,晶界扭转角度越大,界面能也越大,并且界面热阻大致与界面能呈正比关系。辐照缺陷的存在使界面热阻增加了一个数量级。声子态密度分析结果表明,界面附近原子晶格失配程度增加是导致辐照后界面热阻进一步增加的原因。     

热障涂层热导率的研究进展

简要回顾了热障涂层体系的发展,讨论了氧化锆陶瓷材料的传热规律,包括涂层微观结构、陶瓷成分等因素的影响.同时指出了改进陶瓷涂层热导率的方法和开发适用于更高温度下的陶瓷涂层材料的指导原则,并详细介绍了改善热障涂层热导率的研究现状.     

硅锗超晶格薄膜界面热传导的分子动力学模拟

采用非平衡态分子动力学方法(NEMD)对超晶格薄膜导热系数与界面晶格失配的关系进行了研究,并就晶格失配使导热系数产生极小值的原因进行了分析.模拟是在加温度梯度的系统中进行的,固定周期长度;其中采用热流修正,分层考虑的思想使系统稳定.模拟结果揭示了,当温度固定时,界面处晶格失配对超晶格薄膜热传导性能的下降有贡献.结果中也发现,当失配程度增大到一定值后,热传导系数出现极小值,经初步分析为声子传播模式不同引起.