典型非线性光学晶体生长方法综述

非线性光学晶体具有多种生长方法,每种方法都有其独特的优势和适用的晶体,通过了解典型非线性光学晶体生长方法的特点,可以确定采用哪种方法获得高质量的晶体,达到预期的目的.本文主要对典型非线性光学晶体生长方法进行相关介绍,如水热法生长KTP晶体、水溶液法生长KDP晶体、有机溶液法生长DAST晶体、高温溶液法生长BBO、LBO、KBBF等晶体、泡生法生长CBO晶体、提拉法生长LiNbO3晶体、布里奇曼法生长CdSiP2、ZnGeP2、BaGa4 Se7等晶体,阐述典型非线性光学晶体的原料、溶液配制、温度压力的控制等实验制备条件,展示所生长出的晶体样品.通过对上述方法总结,为今后的晶体生长方法选取提供借鉴.     

三维运动下KDP晶体生长过程中的应力分析

作为一种新型溶液晶体生长方式,“三维运动生长法”能够快速生长高质量大尺寸的KDP晶体.为了了解KDP晶体在三维运动生长过程中晶体内部的应力状态,本文采用有限元法对三维运动下KDP晶体生长过程中的应力分布进行了计算.结果表明,掣晶杆顶端附近以及晶面和掣晶杆交接处存在明显的应力集中,主应力较大,是晶体生长过程中的易开裂点.增加掣晶杆直径,使用圆头掣晶杆和降低三维运动过程中的加速度能够降低晶体内部的最大主应力,减小晶体在生长过程中开裂的机率.     

甩数学模型计算生长大尺寸光学晶体加热系统结构第2部分-在φ400mm CaF2晶体生长中计算辐射-传导热交换的方法和结果

大尺寸氟化物晶体的生长是基于对晶体炉热交换的实验研究和计算结果，在晶体生长过程的不同阶段解决了复杂结构生长容器的边界条件和温场的二维计算任务。我们在这里给出了晶体生长过程中温场设置和转变的具体数据。所有的计算都是根据晶体、熔体，容器材料的光学特性与光谱和温度的关系以及它们的热物理值与温度的关系做出的。这些结果包括了迄今有关氟化物晶体生长系统和过程的最精确的数据，可用于生长技术工艺的发展以及晶体生长炉和容器的设计。     

大尺寸晶体快速生长理论与技术的研究进展

“如何突破大尺寸晶体材料的制备理论和技术”是中国科协发布的2021年度的十大前沿科学问题之一,揭示晶体生长机制和突破生长关键技术是大尺寸功能晶体发展的两个趋势。在原子分子尺度上,晶体生长可以是有势垒的热激活过程,也可以是无势垒的超快结晶过程,这与具体的体系以及晶面有关。从界面属性角度来看,光滑界面是以台阶拓展的方式生长;粗糙界面没有明显的固-液分层,通过局部原子固化进行生长。本文从晶体生长理论模型、生长技术及其应用实例,以及分子动力学方法在晶体生长中的应用等方面探讨了近些年大尺寸晶体快速生长理论和技术的研究进展。目前有多种方法制备大尺寸晶体,但普遍存在制备的晶体质量差和性能不稳定等问题。需要突破对晶体生长微观机制上的认识,建立机制与温度、流速等外界因素的内在联系。而利用机器学习力场以及分子动力学模拟方法,建立固-液界面,模拟晶体生长,将是探究晶体生长微观机制的一种有效方式。     

激光晶体Nd:KGW晶体的表面缺陷观察

本文采用助熔剂籽晶提拉法生长出了Nd:KGW激光晶体.利用光学显微镜对晶体表面进行观察、并拍摄到晶体裂缝、生长丘、生长条纹和包裹物等缺陷的照片.分析其原因,是由于晶体生长工艺的不稳定,尤其是晶体生长过程中的温度梯度不够合适、提拉速度过快、降温速率偏快等所致.并由于生长体系粘度较大,容易形成包裹,晶体包裹物经XRD分析认为其中主要是熔体.     

高质量LiCaAlF6晶体生长条件的探索

本文报道了采用提拉法在不同加热系统中和不同生长气氛下进行的LiCaAlF6晶体生长的实验,以探索高质量晶体的生长条件,并讨论了在晶体生长过程中晶体内部和表面上的某些缺陷的形成原因.为了获得高质量的晶体,抑制原材料的氧化和挥发,实现生长过程的稳定控制,是晶体生长过程中不可忽视的三要素.在较小的温度梯度、较高真空度(2×10-2Pa)、敞开式保温体系、较高控温精度(±0.1℃)及充入保护气体CF4条件下,可生长高质量的LiCaAlF6晶体.     

KDP晶体(101)面生长动力学研究

晶体法向生长速度是晶体生长动力学研究的-个重要参数.用激光偏振干涉法实现了KDP晶体锥面生长速度的实时测量,发现KDP晶体锥面生长过程中存在与柱面类似的死区,对传统降温法生长大尺寸KDP晶体和点籽晶快速生长技术中过饱和度的控制有重要指导意义.用螺旋位错模型讨论了锥面生长的动力学规律.计算了锥面台阶自由能和动力学系数.     

KDP类晶体快速生长技术研究

概述了本课题组在KDP类晶体快速生长领域的研究及进展情况.通过集成生长设备的管道系统、升级连续过滤系统、研发晶体生长过程的实时监控系统以及高精度退火设备,实现晶体生长系统的集成化;通过数值模拟优化晶体表面流场状态、全流程量化控制实现晶体稳定生长以及精密热退火进一步提升晶体性能;针对点籽晶快速生长KDP类晶体中存在的柱锥交界面问题,相继提出了长籽晶锥区限制生长法和长籽晶自由生长法,为大尺寸高性能KDP类晶体生长提供新的技术方案.     

用数学模型计算生长大尺寸光学晶体加热系统结构第2部分-在Ф400mm CaF2晶体生长中计算辐射-传导热交换的方法和结果

大尺寸氟化物晶体的生长是基于对晶体炉热交换的实验研究和计算结果,在晶体生长过程的不同阶段解决了复杂结构生长容器的边界条件和温场的二维计算任务.我们在这里给出了晶体生长过程中温场设置和转变的具体数据.所有的计算都是根据晶体、熔体,容器材料的光学特性与光谱和温度的关系以及它们的热物理值与温度的关系做出的.这些结果包括了迄今有关氟化物晶体生长系统和过程的最精确的数据,可用于生长技术工艺的发展以及晶体生长炉和容器的设计.     

光学材料结晶化研究

本文通过分析光学材料中光谱与温度之间的关系证实了晶体生长过程中的相变团簇模型,认为晶体内部热辐射流是引起固-液界边界层温度场发生传导的可能原因.引入了前结晶的概念,并结合实际中的不同晶体生长方法讨论了包裹体及气泡的抑止机理,通过计算得到了生长理想晶体的最大生长速率并且解释了由于界面层的摆动使得晶体生长过程中产生的微气泡没有被移动的界面层所捕获.     

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.     

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.     

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.     

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.