KDP晶体力学参数测试与分析

采用全自动、高精度RMT-150C力学试验系统开展了KDP晶体的力学参数测试,获得了KDP晶体[001]和[100]晶向的弹性模量、泊松比、抗压强度和抗拉强度.结果表明:[001]和[100]晶向的弹性模量分别为39.25 MPa和16.82 MPa,泊松比分别为0.24和0.16,KDP晶体为典型的弹脆性横观各向同性材料.KDP晶体在[001]晶向的抗压强度、抗拉强度均较[100]晶向的高,其在[100]晶向更容易发生脆性破坏.结合KDP晶体的生长受力状态,揭示了KDP生长过程中产生的破坏以拉破坏为主,为开展KDP晶体开裂的力学损伤分析、提出防止开裂的力学措施奠定了重要的基础.     

KDP晶体脆塑转变切削过程有限元仿真与实验研究

利用ABAQUS软件建立KDP晶体超精密切削三维模型,并基于内聚力模型来模拟KDP晶体脆性域切削过程中裂纹的成核与扩展,对KDP晶体脆塑转变过程做出合理解释,得到其临界切削厚度.结果表明,超精密切削过程中KDP晶体材料的去除分为弹性变形、塑性去除和脆性断裂三个阶段,其脆塑转变临界切削厚度为140 nm左右.最后利用超精密机床对KDP晶体进行切削实验,实验观测得到的临界切削厚度与仿真结果值的相对误差不超过10;,验证了仿真方法的有效性及仿真模型的准确性.     

基于纳米划痕实验和有限元仿真的KDP晶体断裂性能研究

通过变深度纳米划痕实验对KDP的断裂特性进行了研究,测量了在KDP晶体(001)晶面上沿不同方向进行划痕实验时首条裂纹出现的位置.随后建立了该划痕过程的有限元模型,计算得到了导致KDP晶体沿不同方向发生断裂时的拉应力,并解释了划痕实验中出现微裂纹和崩坑的原因.结果表明,在KDP晶体(001)晶面上沿0°方向加工时材料最容易发生断裂,对应的拉应力为107 MPa;而沿45°方向时材料表现出较好的可加工性能,此时导致KDP晶体发生断裂的拉应力为160 MPa.     

基于螺旋刻划方法的KDP晶体临界切削厚度研究

为了取得贴近切削加工的临界切削厚度,本文提出了一种采用金刚石刀具对KDP晶体进行螺旋刻划、基于所得刻槽微观形貌特征参数计算临界切削厚度的新方法;分析了切削速度和材料各向异性对临界切削厚度的影响;通过切削实验验证所得临界切削厚度.结果表明,晶体材料的各向异性对临界切削厚度有显著影响;在低速切削范围内,切削速度对临界切削厚度影响不显著;基于所得临界切削厚度选择切削参数,实现了KDP晶体全晶向延性域切削,取得了表面粗糙度为2.57 nm(Ra)的超光滑表面.     

纳米尺度延性域干切削KDP晶体的无粘屑研究

为了避免使用切削液及其相应清洗工艺对KDP晶体表面产生雾化、引入杂质等降低晶体抗激光损伤阈值的不利因素,采用干切削技术对KDP晶体进行超精密切削.在干切削KDP晶体工艺中所遇到的难点是切削屑片易粘附已加工表面,由此产生屑片粘附点难清洗、易雾化等问题.本文提出了基于真空抽屑装置干切削KDP晶体的新工艺,重点解决了干切削工艺下KDP晶体表面粘屑现象,实现了无需清洗、无杂质的加工表面.在选择延性域切削参数条件下,取得了表面粗糙度为2.69 nm(Ra)的无粘屑、超光滑表面.     

KDP晶体(001)晶面纳米压痕的仿真研究

在KDP晶体(001)晶面上进行了四种压头(即:维氏压头、玻氏压头、圆锥压头、球形压头)的纳米压痕仿真研究.仿真结果表明:完全加载时四种压头与KDP晶体接触位置存在不同程度应力集中.当载荷在0～8 mN范围内时,其与等效应力影响深度呈近似线性递增关系.完全卸载时,残余应力分布深度为1.3～1.5 μm.相同载荷条件下,各压头对应的塑性损伤层深度之间关系与等效应力影响深度之间关系一致.此外,通过纳米压痕实验验证了KDP晶体材料模型及相关参数的正确性.     

不同晶面单晶铝纳米压痕测试及有限元模拟

采用纳米压入法对单晶铝(100)、(110)、(111)晶面进行力学性能分析,结合实验得到荷载-位移曲线,利用连续刚度技术获得单晶铝的弹性模量和硬度.结果表明:单晶铝具有良好的塑性性能,不同晶面的塑性能力从大到小依次为(110)晶面、(111)晶面、(100)晶面.材料弹性模量和硬度变化趋势一致,不同晶面弹性模量和硬度的大小关系为:(110)晶面＞(111)晶面＞(100)晶面.由于晶体变形时发生位错形核与发射,导致荷载-位移曲线在压入初期表现出位移爆发现象.同时运用ABAQUS有限元软件,使用单晶各向异性本构模型定义材料属性,对不同晶面的单晶铝进行仿真模拟,通过反复对比实验与模拟所得的荷载-位移曲线得到不同晶面各向异性的相关材料参数,并分析得出了最大压深时的正应力、剪应力及残余压痕分布的对称性.     

提拉法生长镓酸锂晶体及缺陷研究

研究了提拉法生长的镓酸锂单晶的生长习性和结晶质量.晶体表面呈乳白色且表面粗糙.通过光学显微镜、四晶X射线衍射、透射光谱和电感耦合等离子体发射光谱对样品进行了表征,结果表明,在(001)面的抛光样品上存在三种缺陷: [110]和[-110]方向的十字线、[010]方向排列的气泡包裹物以及平行于(010)面的界面,界面的产生起因于(010)晶面的滑移;晶体的结晶质量从顶部到底部逐渐下降,这是由于在生长过程中氧化锂的挥发导致熔体成分偏离化学计量比造成的.     

四硼酸铅晶体生长及特性研究

本文采用熔体法生长出四硼酸铅透明大单晶,最大尺寸为54mm×46mm×10mm.对它的结晶学特性进行了研究,晶体形态为沿a-c晶面延伸的厚板状;晶体的质量与生长时引晶方向有关,当(010)晶面平行于液面时,晶体生长均匀,缺陷减少.该晶体的莫氏硬度为8～8.5,化学性能稳定.晶体生长时无挥发物产生,因而减少其对环境的污染.本文测试了PbB4O7晶体的熔点、透光性、热扩散物理性质,并首次定性测试了它的非线性光学性能,其倍频信号强度与KDP相当.     

电子背散衍射花样的数学特征

电子背散衍射(EBSD)花样揭示了材料的物相成分、晶体结构、晶粒取向、晶粒大小和晶界的信息。EBSD花样非常复杂,通常需要借助专门的计算软件才能解析。本文系统地研究了EBSD花样的数学特征,建立了任意晶体取向与EBSD花样之间的数理关系,推导了面心立方、体心立方和六方晶体的基本晶带轴的理论EBSD花样的数学特征,以及面心立方晶体的(001)<110>取向和(001)<100>取向的理论菊池(Kikuchi)花样特征。在实测EBSD花样的分析中与各晶系各点阵的基本晶带轴的理论EBSD花样特征比较,即通过图像特征对比,就可以直接确定实测EBSD花样所属的晶系、点阵和Kikuchi线交点对应的晶带轴[uvw],再由基本晶带轴的坐标计算出晶体取向,还能提供基本晶面信息,如原子密排晶面在样品中的空间分布,这有利于晶体的变形或生长机理研究。EBSD为单晶芯片质量检验提供了新方法。     

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 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.     

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.     

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.     

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.     

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.