不同参数声子晶体第一完全带隙影响因素研究

基于时域有限差分法研究了二维声子晶体的第一完全带隙,数值计算了不同基体和散射体参数下XY模式的带隙特性.结果表明随着散射体与基体密度比的增大,第一完全带隙增宽.同时研究了不同晶格结构参数和填充率参数对第一完全带隙的影响,三角晶格的填充率高于正方晶格,较宽的带隙范围.研究结论为声子晶体器件的设计提供理论依据.     

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.     

类正方阿基米德格子声子晶体带隙稳定性实验研究

基于平面波展开法和超声浸水透射技术,理论和实验研究了二维(32.4.3.4)格子钢/水声子晶体带隙性质.与正方晶格钢/水声子晶体相比,类正方(32.4.3.4)格子能够打开高频带隙,并进一步讨论了第一布里渊区Γ-X、Γ-M方向层厚和方向带隙稳定性关系,这为设计有限尺寸隔声材料提供依据.结果表明:带隙的频率范围和理论计算很好吻合.     

二维正方晶格钨-硅橡胶声子晶体的带隙特性研究

本文利用平面波展开法和有限元法计算了二维正方晶格钨-硅橡胶声子晶体的能带结构,分析了弹性波在嵌有周期性排列的相同孔径的圆柱形钨块声子晶体结构中的传播特性.对能带结构中出现的特殊现象,例如狄拉克点以及狄拉克点附近的简并态等进行了分析.给出了三维能带图以及不同模式下的主要变形情况,发现在基体与散射体结合的部位容易出现应力集中的现象.同时讨论了复合材料的不同参数对带隙的影响,发现随着密度比(散射体密度与基体密度的比值)的增大,第一完全带隙的起始频率逐渐增加,但是截止频率变化较小,带宽逐渐减小.相对于杨氏模量比,密度比对带隙的影响更大.本文的结果将对实际的工程应用提供一定的理论指导.     

二维声子晶体振动带隙的最佳参数分析

基于平面波展开法研究二维声子晶体振动带隙的最佳参数特性,数值计算基体为硅橡胶散射体为铝时正方格子和三角格子二维声子晶体的XY模式和Z模式的带隙特性,得到三角格子声子晶体更易形成较宽振动带隙.改变散射体材料特性,模拟得到散射体密度大的材料能够形成较宽带隙.研究结论对于声子晶体应用制作提供理论参考.     

二维类正方阿基米德格子声子晶体弹性剪切波能带结构研究

利用平面波展开法研究了二维类正方阿基米德格子(ladybug和bathroom)铝/环氧树脂声子晶体弹性剪切波能带结构.与正方晶格相比,ladybug和bathroom格子都存在高频带隙,而且bathroom格子带隙较宽;ladybug格子有两个各向同性带隙;在相同r0/a(散射体半径与其相邻中心距离比)情况下,分析了ladybug、bathroom格子和正方晶格声子晶体r0/a的变化对带隙相对宽度的影响, 表明类正方阿基米德格子比正方晶格更容易获得带隙.     

新型多重谐振结构声子晶体带隙特性研究

本文设计了一种新型的多重谐振声子晶体结构,建立了带隙上下界频率振动模态的等效模型,通过有限元方法分析了该结构的带隙产生机理以及影响带隙宽度的因素,并对模型的合理有效性进行了验证.结果表明:该结构属于局域共振型声子晶体,能够在中低频段内获得两个带隙,并且内层散射体质量决定第一带隙起始频率,外层散射体质量决定第二带隙的截止频率.通过对散射体质量,填充率,包覆层弹性模量的优化,可以对其带隙上下界频率进行调控.研究结果为声子晶体的结构设计提供了参考.     

不同材料构成声子晶体带隙特性研究

基于平面波展开法研究不同材料构成声子晶体带隙特性.数值模拟得到碳散射体与不同基体材料构成正方形声子晶体XY模式的能带结构,环氧树脂基体与不同散射体材料构成正方形声子晶体XY模式的能带结构,正方形和三角形结构声子晶体Z模式的能带结构.结果表明增加散射体与基体的密度比,更容易出现带隙,三角形结构相比正方形结构更易形成较宽带隙.研究结论为声子晶体器件制作提供理论依据.     

基于边界元法的非完好界面三角晶格声子晶体带隙计算

采用边界元法研究了具有非完好界面条件的二维三角晶格声子晶体的带隙特性.结合Bloch周期原理,针对二组元三角晶格固-固体系声子晶体推导了含非完好界面条件的边界元特征值方程.基于该方程,计算了含有不同截面散射体(圆形截面、椭圆截面、正方截面)的能带结构,讨论了晶格对称性对能带结构的影响;并且分析了圆形截面散射体填充比的变化对带隙位置及宽度的影响.通过与其它计算方法的结果比较,说明边界元法可以有效准确地计算具有不同界面条件和不同散射体形状的声子晶体的能带结构.而且,非完好界面条件的声子晶体可以在低频打开完全带隙,尤其圆形截面最为明显.     

一种弯曲主导型热膨胀点阵超材料的带隙特性研究

当前科技的发展对材料的多功能性提出了更高的要求.本文利用有限元法针对一种具有三角晶格的弯曲主导型热膨胀点阵超材料(JTCLM)进行了带隙研究,并讨论了几何参数对JTCLM单胞带隙的影响.结果表明,当JTCLM单胞存在弯曲曲率时将会产生带隙,且材料的几何参数对JTCLM点阵复合材料的带隙具有显著的影响.结果为实现热膨胀/带隙双目标的超材料设计提供了理论基础.通过合理的选材和形状设计,有望实现特定膨胀性质和带隙设计的双目标共赢,使材料具有更好的可调谐性和多功能性.     

Modelling of mechanism of agglomeration of KCl crystallization

The article presents an analysis into agglomeration during KCl vacuum crystallization. The theoretical and experimental investigations into the mechanism of agglomeration during mass crystallization result in an extension of the growth phenomena within the known model equations. The basis for this is essentially constituted by the collision model concepts of the theory of floculation in disperse systems. The parameters derived from the microprocess analysis (energy dissipation, content of solids, growth rate of individual grains) lead to model equations which are confirmed by laboratory and test trials.     

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...     

Velocities of Disappearance and Lifetime of Faces of Growing Crystals

The formulae for absolute R_disap and relative R velocities of disappearance and lifetime τ of faces of growing crystals have been derived for stationary growth. It was shown that the quantities are determined by the relative growth velocity R_A/R_critA of the vanishing face A with respect to the critical growth velocity R_critA and by the geometry of a crystal expressed by the trigonometric functions of interfacial angles β and γ formed between face A and the adjacent faces. R increases and τ decreases with the increase in R_A/R_critA to certain limiting values. The calculations have been verified and illustrated by the experimental results for triclinic potassium bichromate (KBC) crystals. Results enable ones to predict values of velocities of disappearance and lifetimes of undesirable, supplementary faces of any real crystal.     

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.     

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.     

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.     

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.