幂函数拟合研究LED圆形阵列光斑的发散特性

利用LED照度公式推导出LED圆形阵列的光斑半径和发散角公式,建立了研究LED圆形阵列光斑发散特性的数值计算方法.在此基础上利用拟合方法得出了LED圆形阵列的光斑半径和发散角随m值、随目标距离、随阵列半径变化的幂函数公式,这些幂函数拟合公式能够很好地与数值计算结果吻合.利用这些公式能够十分方便地对LED圆形阵列的光斑发散特性进行解析研究,为研究LED圆形阵列的光斑发散特性建立了一种新方法,弥补了数值计算方法不能对LED圆形阵列的光斑发散特性进行解析研究的缺陷.     

湿法刻蚀腔室结构数值优化

为确定某种新型刻蚀机最优的晶圆与喷淋头间距(Gap),通过CFD仿真分析气体在不同Gap腔室内的物质输运分布,并结合乙醇环境下HF酸刻蚀SiO2工艺的物理化学过程,建立了刻蚀速率估算公式,以此分析了不同Gap腔室的刻蚀速率及刻蚀均匀性,最终获得了具有最佳刻蚀效果的腔室结构.研究分析表明:Gap较小时晶圆中心刻蚀速率偏高,Gap较大时晶圆边缘刻蚀速率偏高;平均刻蚀速率随着Gap的增大逐渐降低,而刻蚀不均匀度随Gap增大先减小后增大,在Gap取值70 mm时刻蚀均匀性最佳且刻蚀速率较高.     

各向异性圆柱光子晶体中光波的量子效应和带隙

利用光波在一维各向异性圆柱光子晶体中径向受限的条件,研究了光波在其中出现的模式量子效应,并利用特征矩阵法计算了TE波和TM波各模式的禁带随模式量子数、传播方向以及圆柱半径的变化规律.得出了一些一维各向异性圆柱光子晶体带隙的新结构.研究表明:此结构禁带的频率中心和透射角都随模式量子数的增加而增大.同一模式禁带的频率中心随圆柱半径的增加而减小.     

立方相Ca2Ge结构稳定性的第一性原理研究

采用贋势平面波中的GGA和LDA两种近似方法分别计算立方相Ca2Ge在-6~8 GPa应力作用下的弹性特性、布局分析、电子结构和(100)面的电荷密度,分析应力作用下立方相Ca2Ge的结构稳定性.计算结果表明,当应力在-6~8 GPa范围,立方相Ca2Ge具有较好的力学稳定结构,体弹模量B、剪切模量G和杨氏模量E随应力的增加而增加,体弹模量B的增长呈线性增加,而剪切模量G和杨氏模量E的增长速率随应力的增加而减小.根据Pugh准则,当应力小于4 GPa时,立方相Ca2Ge表现为脆性,应力大于等于4 GPa时,表现为延性.根据布局分析结果,随着压力的增加,Ca原子4s态电子向3d态跃迁,立方相Ca2Ge化合物在较高压力下存在共价键,离子性降低.能带结构和态密度计算结果表明,应力在-4~8 GPa范围,带隙值随应力的增加而成线性降低,在-6~0 GPa应力下,Ca s态电子未参与成键,随着应力的增加,各电子态的能带线宽度增加,态密度的峰值宽度增加,表明电子云的重叠越大,电子间的成键强度加强.分析立方相Ca2Ge(100)面的电荷密度,得出(100)面上最大电荷密度值随应力的增加而减小,最小电荷密度值随应力的增加而增加,说明(100)面上电子局域性随应力的增加而降低,电子云的重叠程度随应力的增加而增大,电子轨道半径增大,成键强度增强.     

固-流结构声子晶体中弹性波能带的色散研究

推导出弹性波斜入射固-流结构声子晶体的转移矩阵和色散公式.利用色散公式研究了弹性波在固-流结构声子晶体中的能带特性.结果表明,介质厚度固定时,弹性波中会出现多级禁带,禁带的频率中心随入射角的增加而向高频方向移动,入射角增加到一定值后会分裂出新的禁带,分裂出的禁带频率宽度随级数的增加而增大.入射角固定时,禁带的频率宽度随介质厚度近似成反比变化,分裂出的禁带频率宽度随介质厚度的增加而减小.     

单晶炉勾形磁场的优化设计与分析

本文采用有限元法对勾形磁场的分布进行了模拟分析,结果表明磁场强度径向分量Bx随径向距离r增大可视为线性增大,并且在线圈中心面上下20mm靠近坩埚内壁的窄小区域内最强.通过对磁场强度的影响因素的分析表明,磁场Bx随电流增大呈线性增加,并随匝数增加呈非线性增大.最后依据模拟结果及其分析,取得了磁场的设计参数.     

单晶金刚石刀具切削各向同性热解石墨的磨损机理

为了研究各向同性热解石墨切削过程中单晶金刚石刀具磨损及其对加工质量的影响,对各向同性热解石墨材料进行了切削试验.观测了刀具磨损形貌的演变过程,分析了刀具磨损机理以及刀具磨损对加工表面质量的影响.研究结果表明,在切削距离逐渐增加的情况下,单晶金刚石刀具后刀面磨损区域逐渐增大,磨损形貌分为平行沟槽和微细网状两种.切削过程中产生的颗粒状切屑和交变应力分别是导致磨粒磨损和解理磨损的主要原因.切削距离300 m内,试件加工表面粗糙度值Ra在0.2～0.4 μm之间波动,切削距离达到l000 m以后,试件加工表面粗糙度值明显增大,但是保持了相对稳定,表面粗糙度值Ra约为0.8μm.     

pH值对金刚石表面化学镀镍的影响

本文以金刚石颗粒表面化学镀的方法镀覆镍金属层为背景,通过X射线衍射(XRD)、扫描电镜(SEN)等测试手段研究了pH值对镀层的组织、形貌及镀速的影响.结果表明:当镀液的pH值低于10.5时,镀速几乎为零,反应不能发生;pH值在10.5 ～ 12时,镀速随pH值的增加而增大,且镀速增加较快,XRD图谱中有镍峰存在,镍峰随pH值的增加而增强,基体有裸露现象;当pH值在13左右时,镀速较为稳定,镍衍射峰较强,镀层较为均匀,无裸露现象;pH值接近14时,镀层较为粗糙,且有脱落现象.在pH值等于13的条件下二次化学镀,基体表面得到的镀层厚度大约为1.5 μm,镀层致密度较好,且包覆严实.     

AlxGa1-xAs材料结构与物理特性的第一性原理研究

基于密度泛函理论,对Al组分由0～1变化时AlxGa1-xAs体系的晶体结构、差分电荷密度、光电性质以及热力学性质进行第一性原理计算.得到AlxGa1-xAs体系的晶格常数a与Al组分x之间呈线性增加关系.能带结构图显示其禁带宽度将随掺入Al组分x的增加而变大,并且当x≥0.5时,体系能带由直接带隙变为间接带隙.静介电系数ε1(0)随掺入Al组分增加而减小,吸收系数带边随x增大而发生蓝移现象.由材料体系的德拜温度随Al组分的变化情况可知,Al组分增加,体系的声速和弹性劲度常数也相应地增大,高温时比热容的非线性增大是单位质量内AlxGa1-xAs的原胞数非线性增加所导致.通过分析不同Al组分下AlxGa1-xAs体系的光电特征、热力学性质,从而为AlxGa1-xAs在光电子器件以及太阳能电池等方面的应用以及后续的深入研究打下理论基础.     

红外非线性光学晶体材料AgGaGeS4激光实验参数的模拟计算

在小信号近似下,对红外非线性光学晶体AgGaGeS4的非线性性质进行研究.模拟计算了钛宝石0.8 μm,Nd:YAG 1.064 μm泵浦下,Ⅰ类AgGaGeS4-OPO在XZ调谐面上的相位匹配情况,晶体波长调谐范围可达0.90～11.4 μm,调谐角19.7～59.3°,有效非线性系数随匹配角增大而逐渐降低.另外也计算了晶体激光倍频波波长和相位匹配角的关系,晶体调谐角度范围0～62°,波长1.5～10.6 μm,同时对倍频允许角及非临界准相位匹配(NCPM)下的情况也进行了探讨.所得结果可预测其非线性性质,并对探索AgGaGeS4晶体用于特定波长激光器,设计新波段提供了理论依据.     

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...     

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.     

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.     

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.     

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...     

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.     

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.