Yield Improvement and Advanced Defect Control——Driving Forces for Modeling of Bulk Crystal Growth

Yield improvement and advanced defect control can be identified as the driving forces for modeling of industrial bulk crystal growth. Yield improvement is mainly achieved by upscaling of the whole crystal growth apparatus and increased processing windows with more tolerances for parameter variations. Advanced defect control means on one hand a reduction of the number of deficient crystal defects and on the other hand the formation of beneficial crystal defects with a uniform distribution and well defined concentrations in the whole crystal. This "defect engineering" relates to the whole crystal growth process as well as the following cooling and optional annealing processes, respectively. These topics were illustrated in the paper by examples of modeling and experimental results of bulk growth of silicon (Si), gallium arsenide (GaAs), indium phosphide (InP) and calcium fluoride (CaF2). These examples also involve the state of the art of modeling of the most important melt growth techniques, crystal pulling (Czochralski methods) and vertical gradient freeze (Bridgman-type methods).     

In-Situ Observation of SiC Bulk Single Crystal Growth by XRD System

In-situ analysis for SiC bulk single crystal growth was reported using vertical X-ray diffractometer system. A furnace for SiC sublimation growth combined with the XRD system which possessed three kinds of functions including topography, rocking curve measurement and crystal growth rate monitoring was developed. These functions could contribute as a powerful tool finding the optimum growth condition by dynamic observation in the crucible. In this study, the in-situ X-ray topographs succeeded to capture dynamic elongation of defects and dislocation generated in the SiC growing crystals. The in-situ rocking curve measurement reviled appearance of mosaic structure in the SiC crystal grown with high growth rate. The in-situ growth rate monitoring also succeeded very precisely using the direct X-ray beam absorption. On the base of findings and facts obtained by the in-situ observations, the importance for the SiC growth was discussed.     

Using the longitudinal Guttman simplex as a basis for measuring growth.

Many difficulties inherent in the measurement of growth stem from the use of traditional measurement methodologies. The longitudinal Guttman simplex (LGS), an alternative approach based on a model of growth, is discussed in this article. The LGS has several advantages over traditional methodology. First, interindividual differences in developmental rates are a part of the model. Second, the LGS procedure can easily handle any number of occasions of measurement. Third, the LGS is suited to nonlinear as well as linear monotonic growth. Fourth, a consistency index associated with the LGS methodology, CL, indicates the extent to which cumulative, unitary development characterizes a particular latent variable. Finally, and perhaps most important, because a model of the growth undergone by the latent variable being measured is incorporated in the LGS model the resulting instruments enjoy a high level of construct validity. The LGS is limited to cumulative, unitary development; additional measurement theories are needed for other kinds of development. (PsycINFO Database Record (c) 2010 APA, all rights reserved)     

Determination of Ring-OSF Position in Czochralski Silicon Single Crystals by Numerical Analysis of Distribution of Grown-in Defects

A numerical analysis technique that incorporates Voronkov's model were examined and used to estimate the distribution of defects during crystal growth. By comparisons of the distribution of the density of LSTD and the position of R-OSF in non-nitrogen-doped (non-N-doped) and nitrogen-doped (N-doped) silicon crystals, it is found that the results of the numerical analyses agree with practically evaluated data. The observations suggest that the R-OSF nucleus is a VO2 complex that is formed by bonds between oxygen atoms and residual vacancies consumed during the formation of void defects. This suggests that Voronkov's model can be used to accurately predict the generation and growth of defects in silicon crystals. This numerical analysis technique was also found to be an effective method of estimating the distribution of defects in silicon crystals during crystal growth.     

Polar Growth Habit of KABO Crystal

The polar growth habit of KABO crystal was discussed by the growth-units model of anionic coordination-polyhedra (ACP), and the relationship between stabilities of incorporation of those growth-units into various group faces and their corresponding morphologies was studied. It is put forward that the growth interface of crystal will be concave when negative plane is used as growth interface. Concave growth interface is very unfavorable for the quality of the crystal, because it is unsuitable for the transfer of the latent heat and impurities released during the deposition.     

凝固组织对高强耐蚀管带状缺陷的影响

 连铸过程中的点状偏析是后续轧材中带状缺陷的源头,对产品服役过程抗腐蚀性能有重要影响。为了控制管材中的带状缺陷,以C110级石油套管钢为对象,研究了其铸态组织对后续热轧管和调质管中粗大带状缺陷的影响。结果表明,点状偏析主要存在于铸坯中心粗大等轴晶区,其内部存在细小的枝晶结构,但却伴随较严重的斑块状溶质元素偏析,遗传到热轧管中则表现为粗大的带状组织缺陷。这类带状组织很难通过热处理工艺消除,会保留在调质管中,从而影响产品服役性能。浇铸工艺研究表明,当前管坯连铸条件下,控制铸坯中心等轴晶区可有效抑制这类半宏观点状偏析的形成,明显减少热轧管和调质管中的粗大带状缺陷;随着铸坯等轴晶区的缩小,热轧管和调质管壁厚方向的显微硬度均匀性均获得显著提高。     

碳酸铈焙烧过程中晶粒长大的蒙特卡洛法模拟

基于蒙特卡洛法模拟对碳酸铈焙烧过程中CeO2晶粒的长大过程进行了计算。结果表明,温度在873K以下,晶粒生长比较缓慢,焙烧时间对晶粒的长大没有显著影响;温度大于873K后,晶粒生长速度明显提高,焙烧时间长,晶粒明显长大。     

上贝氏体铁素体的形核及长大

 贝氏体铁素体的长大速度与转变机制密切相关。应用QUANTA 400型环扫电镜,观测了20CrMo钢和35CrMo钢的贝氏体铁素体形核及长大情况。结果表明,上贝氏体铁素体在原奥氏体晶界形核,可沿着晶界生长,也可平行地向晶内长大。测得贝氏体铁素体片条沿晶界延伸的平均速度为14 998 nm/s,而向晶内长大线速度为17 763 nm/s。应用计算和理论分析方法研究了贝氏体片条的长大机制,认为在晶界形成的上贝氏体铁素体晶核与两侧的奥氏体不同时具有共格界面,因此不能以共格切变长大。按照体扩散和界面扩散进行理论计算,计算结果表明：铁素体长大速度比实测值小3~4个数量级,因此扩散 台阶机制不能成立。另外,提出了上贝氏体铁素体晶核长大的原子热激活跃迁机制。     

300mm Si外延片表面颗粒缺陷的研究

研究了不同拉晶速率对300 mm硅外延片表面缺陷的影响,SP1(表面激光颗粒扫描仪)测试结果表明:较低的拉晶速率下,外延片表面出现环状颗粒缺陷分布带;较高的拉晶速率下,外延片表面的环形缺陷带消失.利用Femag-CZ软件模拟了不同速率下晶体的生长结果,结合其c;-cv分布图,分析出这种环状分布的颗粒缺陷是由于晶体中间隙原子富集区产生的微缺陷,在外延过程中( 1050℃)聚集长大,从而在界面处造成晶格畸变引起的.随着衬底拉速的降低,间隙原子富集区的面积增大,硅片外延后越容易出现环状分布的颗粒缺陷.因此在单晶拉制过程中,为了避免这种环状缺陷的产生,应适当提高晶体的拉速.     

Preparation of Undoped LaCl3 Crystal and Its Luminescence Properties

In this paper, undoped LaCl3 crystal growth was reported by modified Bridgman method.The starting materials used as charge for crystal growth was found to contain seven to three crystallized water molecules, and dehydration will take place when heating the raw materials at about 230 ℃ for several hours.The oxidization of LaCl3 during dehydration and growth can be avoided by adding a special scanvenger into the growing system.The grown LaCl3 crystals are colorless and transparent, but very hygroscopic.Their optical cut-off edge was confirmed to be 220 nm.UV excited and X-ray induced emission spectra were measured at room temperature, whose peak is at 405 nm.     

初始速率法研究仲钨酸铵晶体线生长级数

应用“初始速率法”研究了仲钨酸铵(APT)晶体的线生长级数。采用不同初始钨浓度下,APT成核期晶体线生长速率最大值(L·max)和平均线生长速率(L·)作为“初始速率”,测出的APT晶体线生长级数分别为0.93和0.79。     

Rapid,nondestructive evaluation of macroscopic defects in crystalline materials: The laue topography of (Hg,Cd) Te

Several (Hg, Cd) Te semiconductor alloys have properties which make them useful as solid state detectors. However, homogeneous alloy single crystal preparation requires unusual treatment. A two-step process is necessary because of the liquidus-solidus composition disparity at the melting point. Laue topography was found to be an efficient tool for optimizing parameters in an initial quench (to preserve homogeneity) and a subsequent solid state recrystallization (to promote large grain growth). Crystal perfection analysis using polychromatic X-ray diffraction is not an entirely new concept, but our initial interest led to a simplified Laue topography technique which is useful for rapid characterization of various macroscopic crystal defects. The utility of this method is demonstrated by a study of defects in bulk (Hg, Cd)Te crystals.     

Bonding Energy and Growth Habit of Lithium Niobate Single Crystals

On the basis of crystallographic structure of lithium niobate (LN), the bonding energy was quantitatively calculated by the bond valence sum model, which was employed to investigate the crystal growth. A possible relationship between the crystal growth habit and chemical bonding energy of LN crystals are found. It is found that the higher the bond energy, the slower the growth rate, and the more important the plane. The analytical results indicate that (012) plane is the most influential face for the LN crystal growth, which consists well with the standard card (JCPDS Card: 20-0631) and our previous experimental observation. The current work shows that the chemical bond analysis of LN crystals allows us to predict its growth habit and thus to obtain the expected morphology during the spontaneous growth.     

串联速率法研究仲钨酸铵晶体线生长速率

将结晶成核期后晶体的生长阶段作为线生长速率测定的时间范围,采用“串联速率法”研究了仲钨酸铵(APT)的晶体线生长级数。NH4Cl—NH3·H2O—H2O系和NH3·H2O—H2O系测定的APT晶体线生长级数分别为0.69和0.82。     

Growth of High Quality Semi-Insulating InP Single Crystal by Suppression of Compensation Defects

Deep level defects in as-grown and annealed SI-InP samples were investigated by thermally stimulated current spectroscopy. Correlations between electrical property, compensation ratio, thermal stability and deep defect concentration in SI-InP were revealed. An optimized crystal growth condition for high quality SI-InP was demonstrated based on the experimental results.     

基于神经网络的提拉法钛单晶生长过程建模

用神经网络建立提拉法钛单晶生长过程的经验模型，并通过试验验证模型的有效性。改进钛单晶生长试验设备，采集建立经验模型所需的无噪实验数据。建立前馈神经网络预测器，建模提拉法钛晶体生长过程非线性动态特性，用自适应BP算法训练神经网络，以加快网络的学习和收敛。     

Study on Characteristics of Crystal Growth of NdFeB Cast Alloys

IthasbeenfoundthatthemicrostructuresofcastalloyshavegreatinfluenceonmagneticpropertiesinsinteredNdFeBmagnets .SothecharacteristicsofNdFeBcastalloys ,includingtheshapeofcrystal ,thecompositionanddispersionofphases ,havebeenstud iedbythepeople[1～4 ] .However ,therearefewre portsonthecharacteristicsofcrystalgrowth[5] .Inthispaper ,crystalgrowthorientationofcastalloyspre paredbydifferentprocessingwasinvestigatedusingX raydiffraction ,andtheinfluenceofcoolingrateoncrystalgrowthorientationwasana…     

Influence of Thermal Conductivity on Interface Shape during Growth of Sapphire Crystal Using a Heat-Exchanger-Method

The internal radiative contributed on heat transfer will enhance the heat transport inside the crystalline phase during growth the transparent sapphire crystal using a heat-exchanger-method (HEM). The artificially enhanced thermal conductivity of the solid to include the internal radiation effect was used in the present study. Numerical simulations using FIDAP were performed to investigate the effects of the thermal conductivity on the shape of the melt-crystal interface, the temperature distribution, and the velocity distribution. Heat transfer (including radiation) from the furnace to the crucible and heat extraction from the heat exchanger can be modeled by the convection boundary conditions. In the present study, we focus on the influence of the conductivity on the shape of the melt-crystal interface. Therefore, the effect of the others growth parameters during the HEM crystal growth was neglected. For the homogenous conductivity (km=kS=k), the maximum convexity decreases as k increases and the rate of maximum convexity increases for a higher conductivity is less abrupt than for a lower conductivity. For the no homogenous conductivity (km≠kS), the higher solid's kS generates lower maximum convexity and the variation in maximum convexity was less abrupt for the different melt's km. The maximum convexity decreases slightly as the enhance conductivity of the sapphire crystal increases. The effects of the anisotropic conductivity of the sapphire crystal were also addressed. The maximum convexity of the melt-crystal interface decreases when the radial conductivity (ksr) of the crystal increases. The maximum convexity increases as the axial conductivity (ksz) of the crucible increases.     

高浓度铝酸钠溶液种分晶体长大速度研究

用实验室间歇式结晶器进行了高浓度铝酸钠溶液晶体长大过程研究,使用电敏粒度计数仪测试出单位重量的颗粒数,通过多次循环试验数据对比判断晶体的长大速度。试验溶液苛性碱浓度为155和175g/L,温度61~51℃,每次循环试验分解40h。循环试验的粒度变化发现:铝酸钠溶液分解过程中,晶体长大速率较慢;苛性碱浓度为175g/L的溶液,在分解长大过程中细颗粒(-20μm)晶体长大速度较苛性碱浓度为155g/L溶液的晶体长大速度慢;浓度对相对较粗颗粒(60μm以上)晶体长大趋势的影响不明显。