西门子CVD还原炉辐射换热数值模拟

本文考虑包括热辐射在内的质量传递、动量传递、能量传递三维模型,利用流体力学计算软件,对12对棒西门子多晶硅CVD还原炉硅沉积过程的传热情况进行数值模拟.应用传热模型计算了实际还原过程的总能耗,并与实际生产运行测量值进行比较,相对误差为7.1;,表明传热模型准确可靠.基于DO离散坐标辐射模型,详细分析了硅棒与反应器壁间的辐射换热情况,探讨了硅棒生长过程中内、外环硅棒辐射能的变化趋势以及不同器壁发射率对还原炉内辐射能的影响.结果表明:辐射换热是硅沉积过程最主要的热量传递形式;外环硅棒的辐射能远大于内环硅棒的辐射能,并且外环硅棒的辐射能随硅棒直径的增大而增大;硅棒辐射能随着反应器壁材料发射率的增大而增大,并采用典型工况数据,计算了不同反应器壁材料发射率条件下的产品单位质量理论能耗.     

西门子反应器中硅棒热电行为数值模拟与分析

改良西门子法制备多晶硅过程中,化学气相沉积所需能量全部由电流加热硅棒提供.本文考虑多晶硅还原炉中辐射和对流热量传递形式,耦合频率控制的焦耳电加热方程,建立了12对棒多晶硅还原炉热场-电磁场耦合模型,并通过工业数据验证了其模拟结果的合理性.分析了硅棒半径、交流电频率以及反应器壁发射率对西门子还原炉内、外硅棒内部温度及电流密度分布的影响.结果表明:当硅棒半径增长到所用交流电频率引起的趋肤深度时,交流电趋肤效应开始显著影响硅棒内部温度梯度;交流电频率的增大,硅棒内部温度梯度逐渐减小;反应器壁发射率增加,低频时硅棒内部温差增大,而高频时发射率对硅棒内部温度分布影响不再显著.     

基于PolySim电子级多晶硅还原炉三维数值模拟

利用PolySim软件建立了国内电子级多晶硅9对棒现役还原炉的三维模型,对还原炉内部的流动、传热进行了数值模拟,得到还原炉内部流场、温场以及硅棒表面温度的分布情况,指出硅棒桥接附近气体流速较小、气体温度及硅棒表面温度过高是该区域沉积不均匀的主要原因.和实际生产结果对比表明,模拟计算数据的误差不超过5;.     

基于Fluent的多晶硅还原炉关键结构优化设计

改良西门子法是多晶硅生产的主要方法,而多晶硅还原炉是多晶硅制备的主要设备。针对传统多晶硅还原炉的流场、温度场和辐射场不均匀导致生产的多晶硅尺寸不规则的问题,本文对还原炉的炉顶封头结构、出气口位置布局和硅棒底盘布局进行优化设计。利用Fluent软件Do辐射模块对多晶硅还原炉进行气-固辐射仿真分析,对比优化前后的流场、温度场和辐射场的云图、流线图等,结果表明：上出气口排气设计能够有效提高炉内气体流动速度,减少炉内气体回流,增加气体流动均匀性,有效解决炉内顶部产生的温度死区,平衡炉内上下温度差;椭圆形顶部封头优化了还原炉整体空间,降低设计成本,有效抑制圆形封头中气体旋涡的产生,增加炉内气体流动均匀性;采用平行圆周对称式硅棒增加整体辐射量,优化了传统还原炉中外圈硅棒与中心硅棒辐射不均匀现象,有效防止了不规则硅棒的产生,提高了多晶硅的产量,为多晶硅还原炉的结构设计提供一个新的方案。     

计算机控制CVD金刚石生长系统的研究

在CVD金刚石生长系统的基础上设计开发了计算机控制系统,对金刚石生长过程中各物理信号进行监测与控制,实现了无人值守下金刚石的生长.详细介绍了计算机控制的结构和软件实现方法.最后介绍了在计算机控制之下金刚石厚膜,纳米金刚石薄膜以及复合膜的生长.结果表明该系统运行稳定、可靠,控制效果明显优于人工控制,具有非常广泛的应用价值.     

基于数值模拟电子级多晶硅还原 炉流动结构改进研究

针对现役电子级多晶硅还原炉炉内气体循环不强、硅棒桥接处沉积质量较差的问题,提出了调整喷嘴直径的优化方案,并利用建模工具建立了原有设计和优化设计的物理模型,对炉体内部的混合气体流动、硅芯电阻加热、辐射传热等进行了数值模拟计算,计算结果收敛,经后处理得到不同设计下炉体内部流速、温度及硅棒表面温度分布云图.实验表明,在其他工艺条件不变的情况下,优化设计可以提供比原有设计更高的沉积速率和致密料比例.     

CVD法沉积金刚石薄膜中成核与生长的势垒研究

探明成核与生长的机理对于沉积高质量金刚石薄膜是十分重要的.本文采用PM3方法,计算了化学汽相沉积金刚石薄膜成核与生长阶段反应势垒.研究了对于不同反应气体(甲烷和乙炔)脱氢和增加沉积基团势垒的差异.结果说明,无论是成核阶段,还是生长阶段,脱氢势垒都小于加生长基团的势垒.然而,增加乙炔基的势垒大于增加甲基的势垒,这可能是因为乙炔分子必须打开C≡C键才能沉积到衬底表面.     

钟罩式硅烷反应器内流动与传热的数值模拟

针对硅烷热分解生产多晶硅的过程,建立了基于动量、质量、能量同时传递并耦合硅烷热分解反应的硅烷-氢气化学气相沉积模型,采用计算流体力学方法分析了传统钟罩式硅烷反应器内的流场、温度场和浓度场.针对普通反应器内存在的死区以及沉积速率不均匀的问题,提出了新型的带出气筒的反应器结构,并对结构进行了数值模拟.计算结果表明,与普通钟罩式硅烷反应器相比,新型反应器的流场、温度场以及硅烷浓度分布更加合理,有效减小了反应器内的漩涡,缓解了气体在进出口间的“短路”现象,使硅棒表面的沉积速率更加均匀.     

西门子反应器中硅棒的热传递模型

考虑西门子反应器中对流、辐射以及化学反应热三种热传递形式,建立了硅棒的二维轴对称热传递模型.相比于对流和化学反应热,辐射是最主要的传热方式.基于此模型分析了12对棒西门子反应器中硅棒辐射位置和反应器壁发射率对硅棒内部径向温度分布以及电流密度分布的影响.结果表明:直流电加热时,硅棒内部径向方向上形成了明显的温度梯度,且外环硅棒内部温度梯度要大于内环硅棒温度梯度;降低反应器壁发射率,外环硅棒温度梯度减小,电流密度分布更为均匀.     

多晶硅铸锭生长过程热应力与位错的数值模拟研究

通过对定向凝固多晶硅从凝固过程开始到冷却过程结束进行瞬态数值模拟,研究了多晶硅锭不同生长阶段的温场、热应力及位错密度的关系.模拟结果表明:在长晶及冷却过程中,位错因热应力的存在而发生运动和增殖,晶体内温度梯度是影响晶体位错密度的关键因素.高位错密度区域分布在硅锭顶部、中心部以及周边外缘.硅锭上表面由中心向外缘递减的高位错密度是由于杂质在固液界面前沿富集导致.其中最大位错密度约为2.4×104 cm-2,发生在硅锭中轴顶部;局部最大位错密度约为2.2×104 cm-2,发生在硅锭边缘底角.     

三氯氢硅和氢气系统的气相沉积三维模拟

建立了氢气和三氯氢硅系统的多晶硅气相沉积反应模型,通过Chemkin4.0耦合气相反应、表面反应机理,利用流体力学软件Fluent 6.3.26数值求解.根据模拟结果绘制了进气温度、进气组成、沉积表面温度以及反应压力与硅沉积速率的关系曲线,阐述了这些条件对于硅沉积速率的影响,同时把模拟结果与文献中的实验数据和计算结果进行对比.结果表明,硅沉积速率随反应温度和反应压力的提高而提高,随进气温度的提高而提高,当氢气摩尔组成低于0.8时,与氢气物质的量组成成正比,氢气物质的量组成大于0.8时,与氢气摩尔组成成反比.     

Numerical modelling of instability and supercritical oscillatory states in a Czochralski model system of oxide melts

The motivation for this study is the need for accurate numerical models of melt flow instabilities during Czochralski growth of oxides. Such instabilities can lead to undesirable spiralling shapes of the bulk crystals produced by the growing process. The oxide melts are characterized by Prandtl numbers in the range 5<Pr <20, which makes the oxide melt flow qualitatively different from the intensively studied flows of semiconductors characterized by smaller Prandtl numbers Pr <0.1. At the same time, these flows can be modelled experimentally by many transparent test fluids (e.g. water, silicon oils, salt melts), which have similar Prandtl numbers, but allow one to avoid the extremely high melting‐point temperatures of the oxide materials. Most previous studies of melt instabilities for Prandtl numbers larger than unity suffer from a lack of accuracy that is caused by the use of coarse grids. Recent convergence studies made for a series of simplified problems and for a hydrodynamic model of Czochralski growth showed that for a second order finite volume method reliable stability results can be obtained on grids having at least 100 nodes in the shortest spatial direction. The obvious numerical difficulties call for an extensive benchmark exercise, which is proposed here on the basis of recently published experimental and numerical data, as well as some preliminary results of this study. The calculations presented are performed by two independent numerical approaches, which are based on second‐order finite volume and finite element discretizations. We start our comparison from the steady states, whose parametric dependencies sometimes exhibit turning points and multiplicity. We then compare the critical temperature differences corresponding to the onset of instability, and finally compare calculated supercritical oscillatory states and phase plots. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Simulation of temperature and flow fields in an inductively heated melt growth system

The goal of the research presented here is to apply a global analysis of an inductively heated Czochralski furnace for a real sapphire crystal growth system and predict the characteristics of the temperature and flow fields in the system. To do it, for the beginning stage of a sapphire growth process, influence of melt and gas convection combined with radiative heat transfer on the temperature field of the system and the crystal‐melt interface have been studied numerically using the steady state two‐dimensional finite element method. For radiative heat transfer, internal radiation through the grown crystal and surface to surface radiation for the exposed surfaces have been taken into account. The numerical results demonstrate that there are a powerful vortex which arises from the natural convection in the melt and a strong and large vortex that flows upwards along the afterheater side wall and downwards along the seed and crystal sides in the gas part. In addition, a wavy shape has been observed for the crystal‐melt interface with a deflection towards the melt. (© 2010 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

SiO2气凝胶分子动力学模拟研究进展

二氧化硅(SiO2)气凝胶是一种拥有三维骨架网络结构的纳米多孔材料,具有高孔隙率、低密度和低热导率等许多独特的性能.但是由于二氧化硅气凝胶本身的脆性及高温稳定性差等原因,限制了其大规模应用.二氧化硅气凝胶的热力学性能与其内部的三维骨架和孔结构紧密相关,掌握二氧化硅气凝胶内部微结构演化规律与宏观性能的关联,是改善其热力学...     

三氯氢硅和氢气系统中多晶硅化学气相沉积的数值模拟

本文建立了三氯氢硅和氢气系统中混合气体动量、热量和质量同时传递,并且耦合气相反应、表面反应的多晶硅气相沉积模型,利用流体力学计算软件(Computational Fluid Mechanics, CFD)Fluent6.2数值分析了气体进口速率、反应压力、表面温度和气体组成对硅化学气相沉积特性的影响,数值结果表明计算结果与相关实验数据吻合较好.分析表明在一定的条件下,硅沉积速率随温度、压力的升高而增加,在氢气浓度较高的情况下,硅沉积速率随氢气浓度增加而线性地降低.     

An experimental and CFD study on gas flow field distribution in the growth process of multi‐walled carbon nanotube arrays by thermal chemical vapor deposition

Multi‐walled carbon nanotube arrays (MWCNTAs) were grown by thermal chemical vapor deposition (TCVD) in a horizontal furnace reactor. The scanning electron microscopy (SEM) results show that MWCNTAs grown on the bottom and the central of the quartz tube are different in one experiment. Moreover, the MWCNTAs grown on the central position are more aligned and longer than those on the bottom. A computational fluid dynamics (CFD) model was employed to investigate the gas flow field impact on the MWCNTAs growth. The results show that gas circulations appear after carrier gas and carbon source are injected into the quartz tube. Because of the existence of gas circulations, the gas flow field at the central of the quartz tube is more stable, which is conducive to the growth of MWCNTAs. The CFD simulation results match well with the experimental data.     

Numerical Simulation of Temperature and Flow Field in the Melt for the Vapour‐pressure‐ controlled Czochralski Growth of GaAs

The influence of the melt flow on the temperature field and interface during the vapour‐pressure‐controlled growth of GaAs was studied numerically with the commercial general‐purpose program FIDAP^TM. The thermal boundary conditions for the domain of seed, crystal, boron oxide and crucible were taken from a global calculation for an equipment used at the IKZ to grow 6″ crystals. Due to the large melt volume the buoyancy forces become rather strong and have to be counteracted by reasonable rotation rates. Preliminary results have been obtained for iso‐ and counter‐rotation showing that the flow field exhibits structures on small scales. High rotation rates are needed to counteract the buoyancy flow efficiently and to achieve a smooth flat interface. Even if the the flow structure is not resolved in detail, the interface shape can be deduced form the calculations.     

Numerical Simulation of the Flow Field and Solute Segregation in Edge‐Defined Film‐Fed Growth

The purpose of this study is to clarify the effect of hydrodynamics and mass transport on the bubble generation in sapphire shaped crystals. The basic idea is that nucleation of bubbles can be anticipated in places were the gas chemical composition is maximum. Finite elements numerical simulation (FIDAP^TM software) is used in order to solve the momentum, mass and chemical species conservation equations in the liquid enclosed in the capillary channel and in the liquid meniscus. A parametric study is performed and the effect of the die geometry and of the physical parameters are clarified. It is shown that the main effect is related to the rejection of the gas at the solid‐liquid interface and that forced and thermo‐capillary convection can explain the experimental observation of the concentration of microbubbles very close to the outer crystal surface in certain cases.