高阶电光和电致伸缩张量的旋转不变性

根据群论原理,用Matlab语言编制了用于计算具有SO(2)群对称性的任意阶电光和电致伸缩系数张量的通用软件.利用该软件得到了具有SO(2)群对称性的三次和四次电光系数张量以及二阶和三阶电致伸缩系数张量的一般形式,并经坐标变换验证,这些张量形式确实具有围绕物理坐标系中z轴的任意旋转不变性.     

准晶三阶非线性弹性的轴转动对称性

用群论方法导出具有轴转动群SO(2)对称性的三阶非线性弹性系数张量的一般形式.指出具有十次对称轴的准晶的声子型三阶非线性弹性系数张量具有围绕十次对称轴的任意旋转对称性.     

二阶非线性弹光张量的旋转不变性

基于群论原理,用Matlab语言编制了用于计算具有SO(2)群对称性的任意阶弹光系数张量的通用软件.在编程中,采用由非对称化的恒等表示基函数构造出具有弹光系数张量本征对称性的对称化恒等表示基函数的方法,以便于编制通用软件.利用该软件得到了具有SO(2)群对称性的二阶非线性应变和应力弹光系数张量的形式,并经坐标变换验证,该张量形式确实具有围绕物理坐标系中Z轴的任意旋转不变性.     

非线性光学晶体K3B6O10Br的生长与光电性能研究

采用顶部籽晶溶液生长法成功生长出尺寸为42 mm×20 mm×18 mm的高光学质量的紫外非线性光学晶体K₃B₆O₁₀Br(KBB)。根据其结构对称性要求,将KBB晶体定向加工成不同的器件切型,系统表征其光电性能。对KBB晶体电弹常数进行了系统的表征,受微观结构影响,压电常数各向异性较大,最大的压电常数d₃₃=6.69 pC/N。KBB晶体具有良好的激光频率变换、电光及压电性能,在光电子领域显示出潜在的应用前景。     

粉末紫外二阶非线性光学性能测试研究

为测定粉末材料的紫外波段二阶非线性光学特性,根据Kurtz-Perry粉末倍频效应理论,开展了紫外粉末二阶非线性光学性能测试的研究.测试光源为氙灯泵浦的Nd:YAG-KTP电光调Q激光器,KTP为二倍频晶体,输出波长532 nm,单脉冲能量100 mJ,重复频率1～10 Hz,脉冲宽度为8 ns.为保证266 nm光的透过率,采用紫外融石英做窗口片,型号为JGS1;为保证测试的准确性,选择光栅光谱仪分光.经紫外常用的KDP、LBO、BBO等测试,证明本方法具有稳定可靠、判别精度高、操作简单等优点,可以有效地定性或半定量测试材料的紫外二阶非线性光学性能,为研究紫外二阶非线性光学材料提供了一种重要的测试手段.     

MnO2掺杂对Sr1.95Ca0.05NaNb5O15无铅压电陶瓷微观结构及电学性能的影响

采用固相反应法制备了MnO2掺杂Sr.95Ca0.05.osNaNbsO15+y wt;MnO2(SCNNM)无铅压电陶瓷.研究了MnO2掺杂对SCNNM陶瓷显微结构及电学性能的影响.结果表明:当y≤0.7时,SCNNM陶瓷为单一的四方钨青铜结构,当y≥1.0时有第二相生成;少量MnO2掺杂能有效降低烧结温度,促进晶粒长大,显著提高SCNNM陶瓷的介电、压电性能,降低矫顽场和居里温度,当y＞0.7时,陶瓷烧结恶化,性能降低.当y＝0.5时,SCNNM陶瓷具有较好的介电、压电和铁电性能:介电系数εr＝2123,介电损耗tanδ＝0.038,平面伸缩振动机电耦合系数Kp＝13.4;,厚度伸缩振动机电耦合系数K1＝36.5;,矫顽场E.＝12.68 kV/cm,剩余极化强度Pr＝4.76 μC/cm2,压电系数d33＝190 pC/N,机械品质引因数Qm＝1455,居里温度Tc＝260℃.     

晶体和准晶旋声性质的旋转不变性

依据群论原理对计算张量的群论方法作了改进,采用非对称化基函数取代对称化基函数,以便于编程.用MATLAB编制了用于计算属于SO(2)群各阶张量的软件.借助于该软件得到了具有SO(2)群对称性的旋声张量的形式.指出晶体中属于六角系的6、6 mm和622晶类和准晶中属于五角系的5、52、5 m晶类的旋声性质具有围绕晶体或准晶中唯一高次轴的任意旋转不变性.该结果对于旋声性的应用有重要意义.     

弛豫铁电单晶的多功能特性及其器件应用

以Pb(Mg_1/3Nb_2/3)O₃-PbTiO₃(PMN-PT或PMNT)为代表的弛豫铁电单晶具有远高于常用锆钛酸铅Pb(Zr_xTi_1-x)O₃(PZT)陶瓷的压电性能,引起了基于新一代压电单晶的功能器件研究热潮。本研究团队在国际上率先利用Bridgman方法生长出了大尺寸、高质量PMN-PT等弛豫铁电单晶(d₃₃～2 000 pC/N,k₃₃～92%),并对PMN-PT等弛豫铁电单晶的生长、多层次微观结构和性能调控进行了多方面的研究,发现弛豫铁电单晶不仅具有超高压电性能,还具有突出的热释电性能、电光性能以及与磁致伸缩材料复合形成磁电复合材料的超高磁电耦合性能。本研究团队多年来一直在努力推动弛豫铁电单晶在医用超声换能器、热释电红外探测器、电光器件、磁电型弱磁传感器等各种器件的应用研究。本文主要总结了弛豫铁电单晶的多功能特性,并介绍了本研究团队在弛豫铁电单晶器件应用上的研究结果。     

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.     

无光釉中LiAlSiO4-SiO2固溶体的枝晶研究

本文研究了无光釉中LiAlSiO4-SiO2固溶体的枝晶形貌、物相、成分、形成温度及其关系.六枝雪花状枝晶为六方晶系的β-石英固溶体,十字状枝晶为四方晶系的凯石英固溶体,即枝晶形貌反映了晶体结构的对称.枝晶的成分与基质玻璃的成分分异与形成温度和机制有关.枝晶形成时存在两种机制,其生长基元分别为原子(分子)生长或晶核切变生长.枝晶分枝程度和形成机制除与过冷度有关外,还与枝晶对称性有关.四方凯石英枝晶多以原子(分子)生长,其分枝少;六方β-石英枝晶多以晶核切变机制生长,其分枝多.     

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.