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.     

含左手材料的——维“啁啾”光子晶体的偏振特性

把“啁啾”函数引入含左手材料的一维光子晶体中,且左手材料的介电常数和磁导率采用Lossy Dryde model,利用传输矩阵法研究了其透射谱.结果表明:在“啁啾”函数对材料几何厚度调制较小时,该光子晶体有完整的禁带,随着调制的加强,禁带宽度增加,但底部逐步抬高.在相同的调制下,磁、电等离子体频率的比值越大,禁带宽度越宽.入射角增加,TE模的禁带宽度不变而TM模的禁带宽度变窄,TE模和TM模均产生了角度隙,此角度隙的宽度随入射角增加而变宽,且TM模的变化大于TE模的.周期数N变化时,角度隙基本不变.nR的变化对禁带和角度隙的位置没有影响,但nR越小,禁带底部越高且圆,角度隙中透射峰峰值越大.     

太赫兹波在光子晶体波导中的带隙特性研究

为了得到太赫兹波在二维三角晶格光子晶体中的传播特性,研究了填充比、介电常数比、晶格常数三个主要因素对二维三角晶格完全禁带的影响.利用MATLAB软件分别优化计算得到填充比、介电常数比、晶格常数最大完全禁带,以及对应结构参数之间的关系.带隙随着填充比的变化而变化,而对于相同晶格结构,介电常数比越大,完全禁带宽度越大,晶格常数不同,禁带宽度也不同.光子晶体态密度的分布验证了存在光子带隙的范围.研究结果为太赫兹波器件的开发提供了理论依据.     

基于平面波展开法的二维立方晶格光子晶体带隙研究

应用平面波展开法(PMW)计算了圆形立方品格、正方形立方晶格及正六边形立方晶格三种不同结构的二维空气柱光子晶体带隙结构.结果表明,空气柱光子晶体存在对应TE、TM模的完全禁带,并且圆形空气柱光子晶体存在完全带隙.比较而言,圆形空气柱立方晶格的TE模禁带与完全禁带最宽,最宽禁带宽度分别为0.137(ωa/2πc)与0.018(ωa/2 πc),正方形空气立方晶格的TM模禁带最宽,最宽禁带宽度为0.119(ωa/2πc).     

多孔氧化铝/氧化锌组装体的光子带隙和发光性能

从光子晶体的角度研究了AAO/ZnO组装体的光子带隙和发光性能,并解释了该组装体中ZnO发光增强的原因.利用平面波法对AAO及AAO/ZnO组装体的带隙结构进行了研究,得到了该组装体在可见光范围内TE波和TM波的不同的禁带结构特征,讨论了晶格常数、填充比及填充介质的介电常数对带隙结构和禁戒波长的影响,找到了使AAO/ZnO组装体产生与ZnO的缺陷发光峰匹配的完全光子禁带的条件.     

吸收对光子晶体偏振态的影响

引入复折射率并利用特征矩阵法,研究了光子晶体的吸收对TE波和TM波的禁带的影响.得出:对TE波其禁带的反射率随消光系数的增加而迅速降低,当消光系数增加为0.03时其反射率降低到0.5.对TM波其禁带的反射率在小角度范围(0～0.9 rad)内随消光系数的变化特征与TE波相同,但在大角度范围出现"广义布儒斯特角"现象."广义布儒斯特角"的位置不随消光系数变化,但"广义布儒斯特角"现象对应的入射角宽度随消光系数的增加而增大.     

h-BN型超晶格等离子体光子晶体能带特性研究

六方氮化硼(h-BN)晶格结构是一种类六方对称复式超晶格结构。具有h-BN晶格构型的光子晶体以其宽光子带隙特点受到国内外学者的广泛关注。本文利用不同尺度低压气体放电管与Al₂O₃介质棒周期性排列，构建了新型h-BN型超晶格等离子体光子晶体，实现其空间结构和等离子体参数的动态调控。利用微波透射谱对比研究了h-BN型超晶格与简单三角晶格等离子体光子晶体禁带位置、宽度和数目。分析了放电电流、介质棒阵列数对不同频段光子带隙的影响，以及电磁波入射角度对电磁传输特性的影响。结果表明：等离子体的引入不仅能够形成新的光子带隙，而且可以选择性地使部分禁带位置发生移动；相对于简单三角晶格，h-BN型超晶格等离子体光子晶体呈现出更多光子带隙；Al₂O₃介质棒阵列数对等离子体光子晶体禁带位置、宽度和数目均具有重要影响。电磁波入射角度变化越大，电磁传输特性差别越显著，透射谱相关性越差。本文所设计的新型h-BN型超晶格等离子体光子晶体为制作可调谐光子晶体提供了新的思路，在微波和太赫兹波控制领域具有潜在应用价值。     

基于声光效应的可调谐光子晶体的研究

利用传输矩阵法研究了一维异质双周期光子晶体的光子带隙随超声波变化的特性.首先,光子晶体的介电常数随超声波的传播出现周期性变化;然后,光波入射到此光子晶体时产生声光效应,采用Matlab软件模拟仿真并分析了该结构光子晶体的光子禁带的位置、宽度与超声波强度及频率的关系.结果表明:光子晶体禁带的位置、宽度可以通过控制超声波的强度和频率实现实时调制.这个结果为基于声光效应的可调谐光子晶体器件的研究提供了理论依据.     

光在介电常数正弦调制的一维光子晶体中的传输

本文用平面波展开法和时域有限差分法研究了光在介电常数受正弦函数调制的一维光子晶体传输规律,发现该光子晶体同样具有一般光子晶体的带隙结构.带隙宽度随调制深度的增加而增加,随周期长度的增加而减小.还用时域有限差分法计算得到源频率分别在禁带和通带时电场在介质中的分布,禁带情况下电场在介质中受到抑制,通带情况下不受抑制.说明不论介质的介电常数如何分布,只要满足周期性的条件,介质都会具有一般光子晶体共有的本质特征.     

基于声子晶体带隙特性的薄板减振设计

基于平面波展开法和薄板振动方程,计算了薄板型声子晶体的带隙和减振特性,通过与有限元软件的计算结果验证带隙计算的正确性,并进一步讨论了散射体几何形状及填充率、弹性模量比、密度比等对薄板型声子晶体带隙特性和减振的影响.结果表明正多边形散射体随边数的减小,第一带隙宽度逐渐增加,正方形散射体薄板减振效果明显.填充率对声子晶体带隙特性的影响不是线性的.随散射体基体弹性模量比数量级增大,第一带隙趋于低频,宽度降低.散射体基体弹性模量比较大时,密度比越大,第一带隙宽度越大,对应的薄板结构减振特性越好.     

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.     

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.     

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...     

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.     

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.     

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.