基于相移干涉技术的晶体溶解及生长边界层实时监测

晶体在溶解及生长过程中边界层的信息直接影响晶体生长速度和物质输运过程,进而影响晶体质量和生长机制。本文利用相移干涉技术建立了晶体生长过程实时监测系统,对无机盐晶体溶解及生长过程中的边界层信息及物质输运过程进行了实时监测,获得了整个实验过程中的晶体生长速度。实验表明:在溶解过程中,边界层内浓度分布与晶体界面距离呈指数下降关系,边界层内浓度差与晶体溶解速度随时间呈指数减小关系;在结晶过程中,边界层内浓度分布规律与溶解过程相反;边界层内浓度差和晶体生长速度曲线则呈现出先上升再下降最后趋于稳定的规律,且在重力场和物质输运过程的共同作用下,晶体表面会产生浮力对流现象。     

微小晶体生长过程的光学诊断实验研究

将光学干涉技术与显微技术相结合,应用计算机技术、图像处理技术发展形成一种实时细观诊断的实验方法──光学细观干涉诊断技术;实时观测了KCl晶体在容积为3mm×3mm×4.5mm的生长池内的结晶过程,得到了该过程的晶体的表面形貌、生长速率、以及晶体生长尺寸与时间、浓度与时间的定量的关系,观测到由重力引起的浮力对流现象,它直接影响晶体的生长．实验表明重力对晶体生长形态有很大的影响;生长速率与浓度存在很大的依赖关系．     

半结晶聚合物非等温结晶结构演化模拟

在半结晶聚合物加工中,材料的结晶决定了结构形态的形成,而形态对最终制品的性能起着重要的作用,因而对聚合物结晶形态演化进行模拟具有重要意义。本文基于非等温结晶的微分控制方程组,采用龙格-库塔法,在matlab上实现了聚合物非等温结晶过程的模拟。模拟不同结晶条件下整体结晶动力学、晶核生成和晶体长大过程,并在此基础上计算晶体尺寸演化及分布。将等温和非等温结晶模拟结果与解析解和实验结果对比,结果吻合很好,验证了模拟程序。数值分析了结晶温度和冷却速率对晶体尺寸分布的影响,获得等温和非等温结晶中晶体尺寸分布规律。     

晶体生长中的流体力学问题

流体力学与晶体生长有密切的关系.在晶体生长中,流体中的输运过程和流动的不稳定性对生成晶体的结构和质量有重要影响.本文概述了晶体生长中与流体力学有关的若干问题.首先对晶体生长的一些基本方法作了简介,然后对晶体生长中的流动现象及其与晶体缺陷的关系进行了讨论,最后提出了几种控制流动以改进晶体生长技术的可能途径.      

火炮立楔式炮闩抽筒系统的动态特性

针对火炮立楔式炮闩抽筒系统中的卡壳和构件动态断裂等抽筒故障,以动力学理论为基础,将其转化为系统动态特性的定量研究。分析了抽筒系统的工作机理并建立了连续接触动力学模型,定量地推导出药筒及系统内接触构件的运动规律和碰撞载荷。建立了杠杆式抽筒子在抽筒过程中的弹性波动模型,采用该模型能够定量地得出抽筒子的动应力分布和力学参数的影响。进行了理想抽筒工况下理论模型的数值计算和实体模型的仿真模拟,同组比较结果验证了定量分析模型的合理性。所建模型可为解决抽筒故障提供理论依据,也可为抽筒系统的动力学和结构优化设计作铺垫。     

双扩散对流与晶体生长

本文概述了双扩散对流效应及其对晶体生长的影响.双扩散对流是能在静力稳定的流体系统中发生的一种特殊的对流效应.某些晶体生长过程中具备发生双扩散对流的条件,忽视双扩散对流效应的晶体生长理论会引起与实际过程的明显偏离.文中还评述了现有双扩散对流与结晶过程耦合的计算结果及有待进一步研究的问题.      

数字散斑剪切干涉及偏转平台法相移系统研究

在传统的剪切电子散斑干涉中 ,直接观测到的是干涉条纹图样。因此 ,如何将位移导数场的定量信息从剪切电子散斑干涉条纹图案中提取出来 ,一直是人们关心的问题。本文运用传播光矢量对数字散斑剪切干涉的条纹形成作了理论解释 ,使其物理意义更加清晰。理论分析表明 ,物体的微小偏转可引入线性附加位相。因此 ,通过连续偏转物体可实现剪切电子散斑干涉的相移。本研究通过计算机控制载物平台的精细旋转实现相移 ,结合传统的数字散斑剪切干涉技术以及四步相移算法 ,实现了数字剪切散斑干涉相移系统。利用该系统进行了中心加载、周边固定的圆盘的典型实验 ,实验结果表明该系统可以方便有效地提取出位移导数场的定量信息。     

一种基于惯性测量与自适应滤波的舰船升沉计算方法

针对舰船作业过程中升沉运动精确测量的应用需求,提出了基于惯性导航系统的升沉运动测量方案。针对海况变化条件下,传统固定滤波参数数字滤波器自适应性不足,以及存在相位偏移和幅值误差等问题,提出了一种结合互补方法的自适应数字高通滤波器。该滤波器基于先验知识与实时海况监测结果,可自适应调整滤波器参数。首先通过一滑动监测窗口对海况进行实时监测,并对滤波器参数进行实时自适应调整;随后对加速度测量值进行2次积分与3次自适应高通滤波,滤除低频误差,保留有效高频升沉运动。不同海况条件下的仿真与试验验证了测量与滤波方案的可行性。试验结果表明:新滤波方法相比传统方法,能根据海况实时自适应调整滤波参数,升沉运动相位误差和幅值误差减小,仿真实验中幅值误差缩减约10倍,模拟试验中幅值误差缩减约2倍,测量精度精确到厘米级。     

蛋白质结构动力学研究进展

蛋白质是生物体赖以存在和生长的重要大分子有机化合物,由20种不同的氨基酸通过肽键连接成线性高分子链,具有特殊的三维空间结构. 蛋白质生物功能与结构动力学特征紧密相关,不同结构运动模式决定了蛋白质在生化过程中的不同生物功能.给定一种蛋白质的空间结构, 通过建立结构动力学模型,进而得到蛋白质结构的运动轨迹,或者将结构整体运动分解为不同频率振动模态的叠加,能够帮助进一步理解蛋白质生物活性点在配体结合、催化过程中的运动特征.阐述了蛋白质结构动力学研究的最新进展,分析了3种蛋白质结构动力学的物理模型和求解方法,详细讨论了谐波模型中的原子模态分析、弹性网络模型等动力学方法,并介绍了蛋白质结构动力学在生物研究领域的应用.蛋白质结构动力学方法的研究和发展表明,从物理原理和简化模型出发的理论分析方法,能够为生物学前沿研究提供有力帮助,是蛋白质折叠和结构预测中的一个重要研究方向.      

基于晶体塑性理论研究铝材料高压高应变率下的强度特性

为了了解金属材料在极端加载下复杂动态响应过程中的多种机制和效应，重点针对Al材料在高压、高应变率加载下的塑性变形机制，在经典晶体塑性模型的基础上，对其中的非线性弹性、位错动力学和硬化形式进行改进，建立适用于高压、高应变率加载下的热弹-黏塑性晶体塑性模型。该模型可以较好地描述单晶铝和多晶铝材料屈服强度随压力的变化过程，相比宏观模型，用该模型还获得了多晶Al材料在冲击加载下的织构演化规律，揭示了织构择优取向行为和压力的关系。     

Deep learning-based on-line image analysis for continuous industrial crystallization processes

In situ microscopic imaging is a useful tool in monitoring crystallization processes, including crystal nucleation, growth, aggregation and breakage, as well as possible polymorphic transition. To convert the qualitative information to be quantitative for the purpose of process optimization and control, accurate analysis of crystal images is essential. However, the accuracy of image segmentation with traditional methods is largely affected by many factors, including solid concentration and image quality. In this study, the deep learning technique using mask region-based convolutional neural network (Mask R-CNN) is investigated for the analysis of on-line images from an industrial crystallizer of 10 m³ operated in continuous mode with high solid concentration and overlapped particles. With detailed label points for each crystal and transfer learning technique, two models trained with 70,908 and 7,709 crystals respectively are compared for the effect of training data amount. The former model effectively segments the aggregated and overlapped crystals even at high solid concentrations. Moreover, it performs much better than the latter one and traditional multi-scale method both in terms of precision and recall, revealing the importance of large number of crystals in deep learning. Some geometrical characteristics of segmented crystals are also analyzed, involving equivalent diameter, circularity, and aspect ratio.     

Positive and negative effects of graphite flake and monolayer graphene oxide templates on protein crystallization

Heterogeneous template-induced nucleation is a promising way to regulate protein crystallization events and could be employed for purification processes and crystallographic studies. Protein crystallization process with graphite and graphene oxide, as heterogeneous templates, were investigated. More than 640 hanging drops with different concentrations of Lysozyme (30, 50, 70, 100 mg/mL) and NaCl (0.7, 0.9, 1.1, 1.3, 1.5 M) were crystallised at 4 °C with or without graphite/graphene oxide templates. The induction times and crystallization process were observed under the microscope. The lysozyme in the solutions with graphite flakes nucleated faster under all the conditions than the lysozyme with equal experimental conditions without templates. The crystals preferred to grow around the edge of graphite flakes than on the flat surfaces. In the droplets with monolayer graphene oxide, more crystals appeared around graphene oxide particles, and the faster or slower nucleation processes with templates were dependent on the lysozyme and NaCl concentrations. Graphene oxide templates strongly inhibited nucleation at high lysozyme concentrations but promoted nucleation at low lysozyme concentrations. Both heterogeneous templates changed the crystal morphology and the crystallization kinetics. More crystals were observed in the solution with graphite templatesthan with graphene oxide templates and without any template.     

Growth of a new phase in a substance in a metastable state

A model of kinetics of phase transitions in a substance in a metastable state is proposed, where the probability of extensive nucleation owing to homogeneous mechanisms is rather large; the model is an alternative to Kolmogorov’s model. The use of this model is demonstrated to offer analytical solutions that describe both the crystallization processes with similar densities of the liquid and solid phases and, for instance, the kinetics of nucleation and growth of bubbles in surface boiling. Solutions obtained by Kolmogorov’s model and by the present model coincide at the initial stage of the process where the volume fraction of the new phase is small. __________ Translated from Prikladnaya Mekhanika i Tekhnicheskaya Fizika, Vol. 48, No. 2, pp. 75–80, March–April, 2007.     

OPTICAL DIAGNOSTIC AND MODELING SOLUTION GROWTH PROCESS OF SODIUM CHLORATE CRYSTALS

Both a real time optical interferometric experiment and a numerical simulation of two-dimension non-steady state model were employed to study the growth process of aqueous sodium chlorate crystals. The parameters such as solution concentration distribution, crystal dimensions, growth rate and velocity field were obtained by both experiment and numerical simulation. The influence of earth gravity during crystal growth process was analyzed. A reasonable theory model corresponding to the present experiment is advanced. The thickness of concentration boundary layer was investigated especially. The results from the experiment and numerical simulation match well.     

Analysis on high-temperature oxidation and growth stress of iron-based alloy using phase field method

High-temperature oxidation is an important property to evaluate thermal protection materials. However, since oxidation is a complex process involving microstructure evolution, its quantitative analysis has always been a challenge. In this work, a phase field method (PFM) based on the thermodynamics theory is developed to simulate the oxidation behavior and oxidation induced growth stress. It involves microstructure evolution and solves the problem of quantitatively computational analysis for the oxidation behavior and growth stress. Employing this method, the diffusion process, oxidation performance, and stress evolution are predicted for Fe-Cr-Al-Y alloys. The numerical results agree well with the experimental data. The linear relationship between the maximum growth stress and the environment oxygen concentration is found. PFM provides a powerful tool to investigate high-temperature oxidation in complex environments.     

Crystallization of alkanes under quiescent and shearing conditions

We report molecular dynamics simulation of crystallization of model alkane systems conducted under constant pressure conditions. We have studied crystallization of n-eicosane (C₂₀H₄₂) and n-hexacontane (C₆₀ H₁₂₂) under quiescent and shearing conditions. We find preshearing before subjecting the melt to quiescent crystallization enhances the crystallization of higher molecular weight hexacontane, whereas, for low molecular weight eicosane, no significant change can be detected. For both alkanes applying steady planar shear significantly speeds up the crystallization. The crystal growth rate increases with the shear rate. However, we find that the critical shear rate above which the crystallization is enhanced, is inversely proportional to the size of the chains. In all cases the Weissenberg numbers of the sheared systems are moderate. We estimate them to be in the range of 0.01–10. Our quiescent simulations for eicosane predict crystallization temperature and lattice parameters of the crystalline phase in good agreement with experimental measurements. We have compared an order parameter used in the simulations against one analogous to that used in dilatometry experiments. Using this order parameter as a measure of crystallinity we predict the crystal growth rate of n-eicosane to be a maximum at ∼300 K in good agreement with experiments. Fitting crystallization growth data to Avrami's model we have calculated Avrami growth functions and exponents for many cases. For quiescent crystallization of n-eicosane we found the Avrami exponent calculated using our order parameter for defining degree of crystallinity, agrees well with that obtained in the experiments. For C60 the crystallization process is very slow at quiescent conditions; however preshearing enhances the crystal growth.     

Modeling of the dynamics of diffusion crystal growth from a cooling magmatic melt

The process of diffusion growth of a single crystal of plagioclase (consisting of two components: albite and anorthite) from a cooling magma melt is considered. Crystallization starts when the temperature becomes lower than the melting (liquidus) temperature and occurs as a result of the diffusion of melt components to the boundary of the growing crystal. The crystallization process is simulated by solving a system of nonlinear, linked by cross terms, nonstationary diffusion equations for albite, anorthite, and residual melt in the coordinate system moving with the growing crystal boundary. The dependence of the crystal growth rate on undercooling and temperature and of its composition on temperature and pressure is taken into account. Both quantities substantially depend on the component concentration ratio in the melt on the crystal-melt interface. The competition between the diffusion and crystal growth processes and the complex dependence of these processes on the current melt and crystal compositions and the system temperature lead to a strong nonlinearity of the problem. As a result of numerical simulation, it is established that with a linear decrease in temperature the growing crystal composition changes nonmonotonically. This makes it possible to propose a novel interpretation of the crystal zoning typical of natural magmatic systems.