KDP晶体锯切应力场与初始内应力场的耦合分析

本文采用有限元法建立了KDP晶体线锯切割的仿真模型,仿真分析了切割过程中晶体内部应力场分布的变化规律.结果表明,线锯切割加工过程应力变化整体平稳,属低应力锯切方式,当晶体即将切断时,最大拉应力显著增加;随着被加工材料的去除,晶体初始内应力释放,晶体内部距离待加工表面越近的点,切割过程中应力变化越剧烈;锯切切口处,锯切应力与内应力相互耦合,应力集聚,并且晶体初始内应力越大,应力集聚越明显,晶体切割开裂几率越大.仿真结果为保证KDP晶体线锯切割加工过程中避免开裂提供了理论基础.     

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.     

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.     

离子束作用下KDP晶体表面粗糙度研究

为了避免传统加工过程对KDP( Potassium dihydrogen phosphate)晶体表面产生损伤、嵌入杂质等降低晶体抗激光损伤阈值的不利因素,文章探索采用离子束抛光技术实现KDP晶体的加工.本文主要分析了离子束抛光作用下KDP晶体表面粗糙度的演变过程,采用垂直入射和倾斜45°入射两种方式研究KDP晶体表面粗糙度,利用倾斜45°入射的加工方式提高了KDP晶体的表面质量,其表面均方根粗糙度值由初始的3.07 nm减小到了1.95 nm,实验结果验证了离子束抛光加工KDP晶体的可行性.     

大尺寸KDP晶体切削开裂效应数值模拟分析研究

大尺寸KDP(KH2PO4)晶体在切割过程中容易出现开裂现象,为了研究大尺寸KDP晶体切割过程中开裂机制并提出合理切割方案,本文对大尺寸KDP晶体切削效应进行了研究.大尺寸KDP晶体切削过程中刀片与晶体之间的接触应力和切割引起的热应力是晶体切削过程中主要致裂因素,因此本文采用有限元计算方法对KDP晶体切削过程进行热力耦合数值仿真模拟.结果表明切割过程中KDP晶体与刀片之间的压力应小于4.1 MPa,切口处温差应控制在4.2℃之内,同时本文还得到了切削过程可控参数(车床推进力和刀片的线速度)的安全取值范围,该范围的提出对KDP晶体的切割技术具有十分重要的意义.     

基于离子束抛光的KDP晶体表面嵌入铁粉清洗研究

磁流变抛光技术是实现KDP晶体超精密加工的新方法,但磁流变液中的铁粉容易嵌入质软的KDP晶体表面.本文提出了利用基于低能离子溅射原理的离子束抛光技术去除KDP表面嵌入的铁粉.利用红外拉曼光谱和白光干涉仪分别分析了低能离子束抛光前后KDP晶体表面物质结构变化和表面粗糙度的变化;结果显示,低能离子束溅射不改变KDP晶体表面的组成结构,并改善了KDP晶体表面质量,因此离子束抛光可用于KDP晶体的加工;利用飞行时间二次离子质谱分析技术分别对单点金刚石车削、磁流变抛光和低能离子束抛光后的KDP晶体表面进行元素分析,结果显示低能离子束抛光可有效去除磁流变抛光在KDP晶体表面嵌入的铁粉.     

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.     

KDP晶体离子束抛光温度场模拟与工艺参数优化

为解决离子束加工热效应这一棘手问题,必须了解离子束加工过程中光学元件的温度场分布,以期优化工艺参数来降低离子束加工过程中光学元件的温度.本文基于ANSYS参数化设计语言(APDL),建立离子束作用下温度场模型,模拟离子束加工KDP晶体过程,并对不同工艺参数条件下工件的温度场进行仿真.分析了工艺参数对KDP晶体温升的影响规律,并通过正交分析方法优化了工艺参数.优化结果表明:从影响工件温度变化程度的角度,离子入射角度θ＞入射离子能量ε＞峰值束流密度J＞扫描行间距系数μ＞束流分布参数σ;从降低工件温升角度,应选取较小的入射离子能量和峰值束流密度以及较大的离子束径、扫描行间距系数和入射角度,减小离子束加工对工件性能的影响,同时加工时间增加不明显.     

生长温度对KDP晶体光学性质影响的研究

用降温法在不同的温度下快速生长KDP晶体,并测量其透过光谱、光学均匀性、金属杂质含量和光散射性能.结果表明随着生长温度的提高,KDP晶体的紫外光吸收和光散射点密度明显降低,但均匀性和杂质金属离子含量并无明显变化.     

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.     

Effect of alumina on enthalpy of mixing of mixed alkali silicate glasses

The enthalpy of mixing of mixed alkali (Na₂O and K₂O) silicate glasses containing various concentrations of alumina was determined using an ion-exchange equilibrium method. For glasses with a constant alkali concentration, the enthalpy of mixing was found to become less negative with alumina addition. Consistent with our previous results on the enthalpy of mixing of alumina-free mixed alkali silicate glasses, the magnitude of enthalpy of mixing exhibited a good correlation with the molar volume mismatch of the corresponding two single alkali glasses as well as with the extent of conductivity mixed alkali effect, e.g. excess activation energy of conductivity, ΔE. The reduction of the magnitude of the enthalpy of mixing with alumina addition can be attributed to the reduction of non-bridging oxygen and ionic field strength. Combining the present results with results obtained earlier, the magnitude of the enthalpy of mixing for all mixed alkali (Na₂O and K₂O) silicate glasses with and without alumina was expressed by a simple function of a modified Tobolsky parameter, which takes into account the alkali concentration and the difference in cation-to-effective anion distances. The enthalpy of mixing data of the mixed alkali glasses was then compared with reported experimental data on the conductivity of mixed alkali aluminosilicate glasses. What appears to be conflicting experimental data can be understood in terms of the magnitude of the enthalpy of mixing and we can conclude that the mixed alkali effect is closely correlated with the negative enthalpy of mixing.     

Mesomorphism Dependence on the Position of Substitution of a Pair of Esters

A novel homologous series of ethylene derivatives of thermotropic liquid crystals has been synthesized. The methoxy to octyloxy derivatives are nematogenic, the decyloxy to tetradecyloxy derivatives are smectogenic, in addition to nematogenic, and the hexadecyloxy homologue is smectogenic only. All the members of the series are enantiotropically mesogenic. Thermotropic behavior was determined by an optical polarizing microscope equipped with a heating stage and Differential Scanning Calorimetry (DSC) study. Analytical and spectral data confirm the molecular structures of homologues (infrared, nuclear magnetic resonance, mass spectra, X-ray, and DSC data). Textures of the nematic phase are threaded or Schlieren and that of smectic phase are focal conic fan-shaped of smectic A or C. Transition curves of the phase diagram behave in a normal manner except one or two deviations from the normal trend. The mesophase range (Sm+N) varies from 3°C to 44°C. The average thermal stability for smectic is 93°C and that for nematic 117.4°C. The LC behavior of the novel series is compared with a structurally similar known series.     

立方晶系晶体本征铁弹相变序参量的选取

在本征铁弹相变的软模理论的基础上,依据弹性本构关系和居里原理,给出了立方晶系晶体所有可能的自发应变的种类,研究了立方晶系晶体本征铁弹相变序参量的选取问题.以Th群和Oh群为例,阐明了不同类的序参量导致晶体对称性变化相同的的原因,提出了该情况下序参量选取的“就少不就多”的原则.得到了发生本征铁弹相变时所有可能的序参量及晶体的对称性的变化.     

On the influence of structural features of DNA on the possibility of metabolic transfer of electrons

Abstract

A fragment of a DNA molecule is considered as one of the channels of metabolic electron transfer. The heterogeneity of the complementary chains is effectively taken into account. This made it possible to find the speed of the electron injected into the DNA conduction band and the current density that it creates. Estimates of electron mobility in nucleic acid chains are made. They were an order of magnitude smaller than that of typical semiconductors. For the specific conductivity of nucleic acid chains, estimates provide a conductivity of one to two orders of magnitude lower than in graphite.     

Features of transformations in REE-containing systems of nitrate precursors in preparatory processes of formation of multifunctional oxide materials

Abstract

The complex study provides a reliable idea of ??the trends in the joint behavior of structural components in the water-salt systems of nitrate precursors of REE, alkaline, alkaline earth metals in the preparatory stages of the processes of forming multicomponent oxide polyfunctional materials on their basis with thermal activation. Stages of such transformations are revealed; The regularities of complex and phase formation in systems and factors influencing them are determined; A number of physicochemical properties of the intermediate phases formed - coordination lanthanides nitrates: their composition, types of compounds, atomic-crystalline structure, regularities of transformations during heat treatment were studied.     

原位氮化法制备TiN纳米粉体

用溶胶凝胶法合成的纳米TiO2粉体作为原料,将该粉体在氨气中进行原位氮化制备了TiN纳米粉体.用XRD,TEM,化学分析等手段对合成的TiN纳米粉体的物相组成、形貌、成分进行了分析.实验分析表明:在1000℃和1100℃下分别氮化5h,可以制备粒径大约为40nm和80nm的TiN粉体,其TiN的含量分别为95.40;和98.37;;而在1000℃条件下氮化时间减少到2h时,TiN的含量仅为58.36;.氮化温度和氮化时间是合成纳米TiN的重要因素,提高合成温度和延长氮化时间均可形成纯度较高的TiN纳米粉体,但延长氮化时间更有利于获得粒径小的氮化钛粉体.     

Growth and characterization of semicarbazone of cyclohexanone

A new organic single crystal of semicarbazone of cyclohexanone (SCCH) has been synthesized and grown as a bulk single crystal by low temperature solution growth technique for the first time in the literature. The grown crystal has been confirmed by X‐ray diffraction and proton nuclear magnetic resonance spectral analyses and also characterized by FT‐ir and FT‐Raman studies. Thermal properties of the grown crystals were studied by thermogravimetric and differential thermal analyses. Optical transmittance was studied by ultraviolet‐visible spectrum and the second harmonic generation property was tested by using Q switched Nd: YAG laser as a source. (© 2006 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Influence of density of states on optical properties of GaSe thin film

A systematic investigation on the effect of substrate temperature on the structure, optical absorption and density of states of vacuum evaporated gallium monoselenide (GaSe) thin films is reported. The X‐ray diffraction analysis shows an occurrence of amorphous to polycrystalline transformation in the films deposited at higher‐temperature substrates (573K). The compositional analysis is made with Auger Electron Spectroscopy (AES). The thickness of the film (175nm) is measured by a multiple beam interferometery. Optical characteristics of the GaSe sample have been analyzed using spectrophotometer in the photon energy range of 1.0 ‐ 4 eV. The absorption mechanism has been recognized and the allowed indirect as well as forbidden direct transitions have been found. As‐deposited films show two indirect and allowed transitions due to spin‐orbit splitting of the valence band, as reported here for the first time. Low field conduction have enabled us to determine the density of states in amorphous and poly‐GaSe films. The amorphous and polycrystalline GaSe thin films have localized states density values of N (E_F) = 1.686 × 10¹⁷ cm^‐3 eV^‐1 and 1.257 × 10¹⁵ cm^‐3 eV^‐1 respectively. The experimental results are interpreted in terms of variations in the density of localized states due to progressive decrease of the unsaturated bonds during deposition. (© 2004 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

电子显微分析在表征纳米晶体化学组分中的应用

纳米材料的化学组分及含量影响其光、电、声、热、磁等物理性能,电子显微分析是表征纳米晶体化学组分的重要方法之一.本文综述了X-射线能谱(EDS)、X-射线波谱(WDS)、电子能量损失谱(EELS)和选区电子衍射(SAED)等现代电子显微分析技术在表征纳米晶体化学组分、形貌、尺寸和结构等方面的应用及其研究进展,并比较了这些分析方法存在的差异,提出了其应用中存在的不足及今后的研发方向.