冷却速率对Al-30wt％Si合金初晶硅形貌和杂质的影响研究

合金法提纯是制备太阳能级多晶硅的工艺之一,在Al-Si合金提纯多晶硅工艺中,冷却速率对初晶硅的形貌和纯度都有重要的影响.本文对成分为Al-30wt;Si合金采用不同冷却速率进行处理,分析初晶硅的形貌以及杂质含量的变化.结果表明,随冷却速率的降低,初晶硅的长度和宽度逐渐增加,初晶硅收率逐渐增加,并且在较低冷却速率下,初晶硅晶粒的<111>择优生长更加明显.同时,冷却速率对初晶硅中的杂质含量产生了显著影响,在较低冷却速率下,杂质的去除率较高,并且有利于Ti和B杂质的去除.为了获得较高的收率和较好的杂质去除率,Al-30wt;Si合金杂凝固过程中的冷却速率应低于3℃/min.     

Cu对Al-50%Si合金法提纯太阳能级多晶硅过程中初晶硅Al含量影响研究

Al-Si合金法提纯具有生产成本低、除杂效率高、副产物单一等特点，是一种极具潜力的太阳能级多晶硅原料的制备方法。在该工艺路线中，Al作为溶剂不可避免地会对Si产生污染，如何降低初晶硅中Al的含量是亟需解决的问题之一。本文通过向Al-50%Si合金中加入Cu,分析Cu对合金溶液热力学性能的影响，结合Cu的存在方式，探讨Cu对Al污染的抑制作用。结果表明：在Al-50%Si合金中添加10%(质量分数)Cu后，合金中Al的活度系数降低至0.714 8;初晶硅中Al的含量从250.960 mg/kg降低到181.637 mg/kg,比未添加Cu时减少了27.62%,同时，Cu在初晶硅中的残留仅为12.6 mg/kg,低于Cu在Si中的固溶度。可见，在Al-Si合金中引入Cu并未对初晶硅造成二次污染。因此，采用Al-Si-Cu三元合金体系进行提纯制备太阳能级多晶硅能够有效抑制Al对初晶硅的污染。     

以石墨为造孔剂多孔Al2O3陶瓷体系中晶粒生长的研究

针对多孔Al2O3陶瓷两相体系,研究了烧结温度、保温时间和石墨含量对陶瓷气孔率、晶粒尺寸的影响.结果表明:随着烧结温度的升高和保温时间的延长,晶粒尺寸增大而气孔率下降;随着石墨含量的增加,气孔率明显提高而晶粒尺寸变化不明显.在此基础上,通过进一步拟合晶粒生长和时间的双对数线性关系,得出在1300 ℃时多孔Al2O3陶瓷的晶粒生长指数为2.95,与理论值基本吻合.     

高速正交切削SiCp/Al复合材料的切屑形成及边界损伤仿真研究

针对SiCp/Al复合材料颗粒增强相与基体相不同的机械力学性能,对照SiCp/Al复合材料金相照片中的SiC颗粒形状与分布状态建立仿真模型,并对SiCp/Al复合材料的颗粒和基体进行分别定义.使用ABAQUS有限元软件仿真研究了高速切削复合材料切屑的形成、工件已加工表面的缺陷特征、边界损伤的形成机理及切削用量对边界损伤程度的影响规律.结果表明:在第1变形区切削变形主体表现为沿剪切角方向Al合金基体的剪切滑移,滑移主要发生在SiC颗粒与Al合金基体的边界邻近区域;对刀刃直接作用的SiC颗粒,由于其压力较大,会发生破碎现象;SiCp/A1复合材料的切屑形态以单元状切屑和由几个单元构成的节状切屑为主;SiC颗粒的破碎和整体剥落是造成已加工表面缺陷的重要因素;负剪切角是产生边界损伤的标志;切削速度对边界缺损几何尺寸大小的影响较小,切削深度对边界缺损几何尺寸大小的影响较大;随着切削深度的增大,边界缺损长度呈直线上升趋势,边界缺损高度先显著增加后缓慢增加.     

等离子体射频功率对微晶硅薄膜微结构及其特性影响

采用射频等离子增强化学气相沉积(RF-PECVD)技术在低温、高沉积压力的条件下制备微晶硅薄膜材料.在优化其它沉积参数的条件下,研究等离子功率密度对微晶硅薄膜材料微结构的影响.通过X射线衍射谱,拉曼光谱,红外吸收谱以及SEM来表征了微晶硅薄膜材料的微结构.结果显示:随着射频功率的增加,微晶硅薄膜的晶化率提高,晶粒尺度减小,薄膜呈小晶粒生长,薄膜中氢含量减少,微结构因子增加,薄膜生长表现出不均匀性.     

SiCl4浓度对微晶硅薄膜生长及光电特性的影响

研究了SiCl4浓度对等离子体增强化学气相沉积(PECVD)系统中以SiCl4/H2为反应气体的微晶硅薄膜生长及光电特性的影响.结果表明,微晶硅薄膜的沉积速率和晶化率均随SiCl4浓度的增加而增大,而晶粒平均尺寸在SiCl4浓度小于65;时呈增大趋势,在SiCl4浓度大于65;时呈减小趋势;此外,光照实验表明制备的微晶硅薄膜具有较稳定的微观结构,具有类稳恒光电导效应,且样品的电导率依赖于SiCl4浓度的变化.此外,还讨论了Cl基基团在微晶硅薄膜生长过程中所起的作用.     

Al2O3基片/Al层状陶瓷的力学性能研究

采用丝网印刷法在Al2O3基片上刷涂金属Al浆料,然后叠层在氧化环境中进行热处理,制备了不同层数的层状陶瓷材料,研究了Al2O3基片层数、热处理温度对层状陶瓷抗弯强度、断裂韧性和冲击功的影响,并与用AB胶制备的层状陶瓷进行了比较.结果表明,用Al浆作为层状陶瓷的夹层制备的试样抗弯强度和断裂韧性都明显比用AB胶作为夹层的试样强;层状陶瓷的抗弯强度在热处理温度700～750 ℃时较大,达到200～240 MPa,而且强度随着层数的增加而降低;层状陶瓷的断裂韧性随热处理温度的变化不明显,随着层数的变化较大,层数增加,韧性增大.     

衬底温度对微晶硅薄膜微结构的影响

采用等离子体化学气相沉积(RF-PECVD)技术,在不同衬底温度Ts下沉积了氢化微晶硅(μc-Si:H)薄膜,并深入研究了衬底温度对微晶硅薄膜微结构的影响.研究结果表明随着衬底温度的升高,表征μc-Si:H 薄膜微结构的晶化率和平均晶粒尺寸均呈现了相似的变化规律,其临界温度点随着硅烷浓度的增加向高温方向移动.该实验结果可通过"表面扩散模型"得到合理解释.     

基体中Mg含量对空气气氛下无压浸渗SiCp/Al微观结构的影响

在空气气氛下,采用无压浸渗法制备高体积分数(65;)碳化硅颗粒增强铝基复合材料(SiCp/Al).探究铝镁合金基体中Mg含量对SiCp/Al复合材料微观结构的影响.XRD和SEM被用作复合材料微观组织及断口形貌分析.结果表明:当基体中Mg含量低于6wt;时,复合材料出现明显的分层现象.Mg含量达到8wt;后,分层消失,材料内部出现不完全浸渗区域.随着基体中Mg含量不断增加,不完全浸渗区域逐渐消失,Mg含量达到14wt;后,SiC预制体可完全被合金基体浸渗,复合材料内部结构均匀.这可能是与Mg相关的界面反应促进了自发浸渗.     

Al-TiO2系XD合成Al3Ti的形貌及其影响因素分析

本文主要研究了Al-TiO2系XD合成铝基复合材料的反应产物Al3Ti的形貌及其演变的影响因素.研究表明Al-TiO2系反应产物由Al2O3和Al3Ti组成,Al2O3为细小颗粒,与铝液不润湿,偏聚于基体颗粒的界面;Al3Ti呈棒状,优先生长方向为<110>;随着增强相体积分数的增加,反应温度提高,活性Ti原子的扩散能力增强,扩散路程变短,有利于Al3Ti择优生长,但Al2O3颗粒的浓度增加,使Ti原子的扩散阻力和Al3Ti的生长阻力同步增大,Al3Ti的择优生长倾向反而减弱,其形貌由棒状向块状演变;在纯铝液中Al3Ti的生长形貌为细长棒状,而在真空中则为薄片状;随着保温时间的延长,其轴向尺寸明显增大,径向尺寸增加不明显.     

Development of Pauling's concepts of geometric characteristics of atoms

The evolution of the geometric characteristics introduced by Pauling and their dependence on the specific features of the structure and chemical bonds have been considered. The values of the covalent and van der Waals radii are given as well as their relationships and mutual transitions.     

Relationship of Morphological Types of Dynamic Forms of Crystals

Crystallography Reports - The relationship of morphological spectra (sets of data on the morphological types of real polyhedral crystals and their probabilities under current physicochemical...     

A SAXS study of kinetics of aggregation of silica sols

SAXS in situ experiments on the evolution of TMOS solutions during hydrolysis and polycondensation lead to power laws with scaling exponents ≈ 2. It is suggested that this could be the result of the polydispersity of the samples and that only an apparent fractal dimension can be obtained in this way. Kinetic studies tend to indicate that agglomeration in the sol is the result of a diffusion-controlled process.     

Study of the possibility of interactive control of the surface profile of X-ray optical elements

We investigate the possibility of controlling the curvature parameters of parabolic mirrors that are modular elements of two types consisting of a base and thin inserts placed at the opposite side of the work surface. In the first type of modular elements, bending is controlled by the difference in the coefficients of the thermal expansion of the base and inserts. In the second type of elements, the profile is changed by the piezoelectric straining of the inserts under an electric field. A correlation is established between the parameters of modular elements and their surface curvature profile.     

A review of measurement of thermophysical properties of silicon melt

Measurements of thermophysical properties of Si melt and supplementary study of X-ray scattering/diffraction by the authors' group were reviewed. The values obtained differed variously from those of literature. Density was 2–3% larger, surface tension 20–30% smaller, viscosity up to 40% larger, electrical conductivity 8% smaller, spectral emissivity more or less in good agreement with literature values, and thermal diffusivity a few percent larger. An anomalous density jump was found near the melting point. Surface tension and viscosity also showed anomaly. A strange time-dependent change of density was observed over 3 h after melting. X-ray analyses suggested a slight change in local atom ordering, but showed no sign of cluster formation. An addition of 0.1 at% gallium caused the density jump to disappear, while that of boron caused no change. An EXAFS study of the former melt indicated a strong interaction between Ga and Si atoms as if molecules of GaSi₃ existed. The implications of the measured properties are a possibility of soft-turbulence in an Si melt in a relatively large crucible, a more complicated manner of intake of oxygen depleted molten Si from the free surface region to underneath the growing crystal, and a relaxation of the melt after melting arising from trapped gas species.     

Mechanism of thermal expansion of structural modifications of zinc pyrovanadate

Crystal chemical characteristics of the α and β modifications of Zn₂V₂O₇ are calculated based on in situ high-temperature X-ray measurements. The expansion of the structure is found to be strongly anisotropic up to the negative volumetric thermal expansion of the α-Zn₂V₂O₇ unit cell in the temperature range of 300–600°С, α _V =–17.94 × 10^–6 1/K. The transformations of the “hard” and “soft” sublattices with an increase temperature and at the phase transition are considered in detail. It is shown that the negative volumetric thermal expansion of α-Zn₂V₂O₇ is due to the degeneracy of the zigzag-like shape of zinc–oxygen columns at constant distances between their vertices.     

Generation of crystal structures of heteromolecular compounds by the method of discrete modeling of packings

Within the method of discrete modeling of packings, an algorithm of generation of possible crystal structures of heteromolecular compounds containing two or three molecules in the primitive unit cell, one of which has an arbitrary shape and the other (two others) has a shape close to spherical, is proposed. On the basis of this algorithm, a software package for personal computers is developed. This package has been approved for a number of compounds, investigated previously by X-ray diffraction analysis. The results of generation of structures of five compounds—four organic salts (with one or two spherical anions) and one solvate—are represented.     

Dependence of the parameters of equations of viscous flow on chemical composition of silicate melts

The temperature dependence of viscosity of silicate melts is discussed in the framework of the Avramov–Milchev (AM) equation. The composition is described by means of two parameters: the molar fraction, x, and the “lubricant fraction”, l. The molar fraction is the sum of the molar parts x_i of all oxides dissolved in SiO₂, the molar fraction of the latter being 1 ? x. It is shown that, with sufficient precision, two of the parameters of the AM equation can be presented as unique functions of the molar fraction. On the other hand, x is not sufficient to determine properly the reference temperature T_r , at which viscosity is η_r = 10¹³ [dPa.s]. Therefore, additional parameter, “lubricant fraction” l, is introduced. For each of the components, l_i is a product of molar part x_i and a specific dimensionless coefficient 0 ≤ k_i ≤ 1 accounting for the specific contribution of this component to the increased mobility of the system. It is demonstrated that, for l > 0, the reference temperature is related to the “lubricant fraction” l through the reference temperature T_r,SiO2 of pure SiO₂.     

Comparative analysis of two methods of calculation of the orientation of domain walls in ferroelastics

Two types of domain-wall equations are analyzed: the equations derived by the Sapriel method and the equations obtained by interface matching of the thermal-expansion tensor. It is shown that, for W-type domain walls, these methods yield the same equations. For W′-type domain walls, the equations obtained by different methods coincide for proper ferroelastics and differ for improper ferroelastics.     

Investigation of the Mechanism of Influence of Stress Corrosion on the Development of Macroplastic Instabilities of Aluminum–Magnesium Alloy

Crystallography Reports - Macroscopic jumps of plastic deformation (few percent in amplitude) on creep curves of aluminum–magnesium alloy, caused by a local effect of concentrated solution of...