Inverse design of nonlinear phononic crystal configurations based on multi-label classification learning neural networks

Phononic crystals,as artificial composite materials,have sparked significant interest due to their novel characteristics that emerge upon the introduction of nonlinearity.Among these properties,second-harmonic features exhibit potential applications in acoustic frequency conversion,non-reciprocal wave propagation,and non-destructive testing.Precisely manipulating the harmonic band structure presents a major challenge in the design of nonlinear phononic crystals.Traditional design approaches based on parameter adjustments to meet specific application requirements are inefficient and often yield suboptimal performance.Therefore,this paper develops a design methodology using Softmax logistic regression and multi-label classification learning to inversely design the material distribution of nonlinear phononic crystals by exploiting information from harmonic transmission spectra.The results demonstrate that the neural network-based inverse design method can effectively tailor nonlinear phononic crystals with desired functionalities.This work establishes a mapping relationship between the band structure and the material distribution within phononic crystals,providing valuable insights into the inverse design of metamaterials.

Multifunctional Perovskite Photodetectors: From Molecular-Scale Crystal Structure Design to Micro/Nano-scale Morphology Manipulation

Multifunctional photodetectors boost the development of traditional optical communication technology and emerging artificial intelligence fields, such as robotics and autonomous driving. However, the current implementation of multifunctional detectors is based on the physical combination of optical lenses, gratings, and multiple photodetectors, the large size and its complex structure hinder the miniaturization, lightweight, and integration of devices. In contrast, perovskite materials have achieved remarkable progress in the field of multifunctional photodetectors due to their diverse crystal structures, simple morphology manipulation, and excellent optoelectronic properties. In this review, we first overview the crystal structures and morphology manipulation techniques of perovskite materials and then summarize the working mechanism and performance parameters of multifunctional photodetectors. Furthermore, the fabrication strategies of multifunctional perovskite photodetectors and their advancements are highlighted, including polarized light detection, spectral detection, angle-sensing detection, and selfpowered detection. Finally, the existing problems of multifunctional detectors and the perspectives of their future development are presented.

Crystal chemistry and structural design of iron-based superconductors

The second class of high-temperature superconductors （HTSCs）, iron-based pnictides and chalcogenides, necessarily contain Fe2X2 （＂X＂ refers to a pnictogen or a chalcogen element） layers, just like the first class of HTSCs which possess the essential CuO2 sheets. So far, dozens of iron-based HTSCs, classified into nine groups, have been discovered. In this article, the crystal-chemistry aspects of the known iron-based superconductors are reviewed and summarized by employing ＂hard and soft acids and bases （HSAB）＂ concept. Based on these understandings, we propose an alternative route to exploring new iron-based superconductors via rational structural design.

Improving self-assembly quality of colloidal crystal guided by statistical design of experiments

A versatile and reliable approach is created to fabricate wafer-scale colloidal crystal that consists of a monolayer of hexagonally close-packed polystyrene （PS） spheres. Making wafer-scale colloidal crystal is usually challenging, and it lacks a general theoretical guidance for experimental approaches. To obtain the optimal conditions for self-assembly, a systematic statistical design and analysis method is utilized here, which applies the pick-the-winner rule. This new method combines spin-coating and thermal treatment, and introduces a mixture of glycol and ethanol as a dispersion system to assist self-assembly. By controlling the parameters of self-assembly, we improve the quality of colloidal crystal and reduce the effect of noise on the experiment. To our best knowledge, we are first to pave this path to harvest colloidal crystals. Importantly, a theoretical analysis using an energy landscape base on our process is also developed to provide insights into the PS spheres＇ self-assembly.

Design and Calculation for Test Tube with the Aim of Regulation Simultaneous Crystallization Tests

A design for an air-cooled test tube, with a series of modular and movable rings (cylindrical “crystallization comb”), installed in a laboratory crucible furnace is presented. The setup allows easy regulation simultaneous crystallization tests of a series of different crystallization rates in several columns (matrix) of test tubes, enabling fast studies of obtaining crystals. This low-budget, portable device (i.e. adjustable airstream with more simple control options), can also be applied in tube and chamber furnaces. The relations between the crystallization rate and parameters of air-cooled test tube are given and numerically analyzed.

Design of Photonic Crystal Triplexer with Core-Shell Rod Defects

We investigate an optical compact triplexer based on two photonic crystal waveguides and resonant cavities. For performing wavelength selection, we use three core-shell rods as the resonant cavities. The core rods are created by introducing air holes in the center of the silicon rods. By varying the radii of the air holes, three specific wavelengths 1.31, 1.49 and 1.55μm can be obtained. This structure is designed and its performance is verified by the finite-difference time-domain method, which is highly suitable for photonic integrated circuits （PICs）. The average output transmission efficiency and quality factor are more than 98.85% and 560, respectively. The mean value of the crosstalk between output channels is about -36.49 dB. The present device is extremely compact with total size 96.24μm2, which is suitable for PICs and can be utilized in the fiber-to-the-home system.

Design of LCoS-Based Twin 1×40 Wavelength Selective Switch

Wavelength selective switch(WSS)is the crucial component in the reconfigurable optical add/drop multiplexer(ROADM),which plays a pivotal role in the next-generation all-optical networks.We present a compact architecture of twin 1×40 liquid crystal on silicon(LCoS)-based WSS,which can be regarded as a 4f system in the wavelength direction and a 2f system in the switching direction.It is designed with theoretical analysis and simulation investigation.Polarization multiplexing is employed for two sources of twin WSS by polarization con-version before the common optical path.The WSS system attains a coupling efficacy exceeding 96%for 90%of the ports through simulation optimization.The 3 dB bandwidth can be achieved by more than 44 GHz at a 50 GHz grid for all 120 channels at all deflection ports.This work establishes a solid foundation for developing high-performance WSS with larger port counts.

氯化胆碱-乙二醇-水媒介制备M型钡铁氧体及其相对结晶纯度研究

采用氯化胆碱-乙二醇(CC-EG)部分取代水溶剂,以相对结晶纯度(RCP)为实验指标,依据7因素12水平均匀设计方案,经化学共沉淀方法制备得到高结晶度、高纯度的M型钡铁氧体(BaFe_(12)O_(19))。通过对制备样品的XRD谱进行分峰拟合,计算各样品的RCP;经二次多项式逐步回归分析,建立RCP与主要合成因素(Fe/Ba摩尔比、CC-EG含量、pH、静置时间、预烧温度、焙烧温度、焙烧时间)间的回归模型;依据回归分析结果,探究模型中各项、各因素及因素间相互作用对RCP影响的主次顺序,揭示了将CC-EG引入BaFe_(12)O_(19)合成过程以提高其RCP的可行性。最优水平组合分析及验证实验结果进一步表明:以CC-EG部分取代水溶剂可提高BaFe_(12)O_(19)的结晶有序程度并降低其微观应变,因而可明显提高其RCP;XRD、SEM和VSM分析结果表明,RCP的提高明显有助于BaFe_(12)O_(19)片状颗粒径向尺寸和饱和磁化强度的提高;以氯化胆碱-乙二醇-水为媒介可制备性能优良的BaFe_(12)O_(19)。

Crystal Report在VB报表设计中的应用技巧

该文介绍了在水晶报表在Visual Basic6．0中应用，给出水晶报表在VB程序设计中的编程步骤，介绍了子报表在报袁设计中的应用．给出了报表设计中自动补空行的方法，并给出了公式字段和参数字段的使用技巧。文中以不同报表实例详细介绍了水晶报表在VB报表设计中的应用技巧。

化学复杂型金属间化合物的创新设计与未来发展

金属间化合物因其原子的长程有序排列及原子间的强键合而具备介于金属和陶瓷之间的独特性质,尤其是最近兴起的化学复杂型金属间化合物在结构和功能特性方面取得了显著突破,并获得了广泛的关注。得益于有序超点阵结构与多种元素化学性质的协同调节作用,这些化学复杂型金属间化合物有望表现出超越传统金属间化合物的非凡性质与性能。主要针对化学复杂型金属间化合物的晶体结构、材料设计、成形工艺和各方面性能进行了总结,重点关注材料设计中涉及的元素占位偏好、亚点阵高熵效应和晶界纳米无序等问题,并对当前这一新型金属间化合物材料的先进制备工艺、结构和功能性能的最新进展进行了概述。最后,对化学复杂型金属间化合物的未来发展方向作出了展望。

Recent Developments in the Crystallization Process： Toward the Pharmaceutical Industry

Crystallization is one of the oldest separation and purification unit operations, and has recently contributed to significant improvements in producing higher-value products with specific properties and in building efficient manufacturing processes. In this paper, we review recent developments in crystal engineering and crystallization process design and control in the pharmaceutical industry. We systematically summarize recent methods for understanding and developing new types of crystals such as co-crystals, polymorphs, and solvates, and include several milestones such as the launch of the first co-crystal drug, Entresto （No- vartis）, and the continuous manufacture of Orkambi （Vertex）. Conventional batch and continuous processes, which are becoming increasingly mature, are being coupled with various control strategies and the recently developed crystallizers are thus adapting to the needs of the pharmaceutical industry. The development of crystallization process design and control has led to the appearance of several new and innovative crystal- lizer geometries for continuous operation and improved performance. This paper also reviews major recent orogress in the area of process analytical technology.

Band structure characteristics of T-square fractal phononic crystals

The T-square fractal two-dimensional phononic crystal model is presented in this article.A comprehensive study is performed for the Bragg scattering and locally resonant fractal phononic crystal.We find that the band structures of the fractal and non-fractal phononic crystals at the same filling ratio are quite different through using the finite element method.The fractal design has an important impact on the band structures of the two-dimensional phononic crystals.

Influence of Co, W and Ti on the Stress-rupture Lives of a Single Crystal Nickel-base Superalloy

The influence of Co, W and Ti on stress-rupture lives of a Ni-Cr-AI-Mo-Ta-Co-W-Ti single crystal nickel-base superalloy has been investigated using a L9 （34） orthogonal array design （OAD） by statistical analysis. At a selected composition range, Ti content was the most important factor to the effect of the stress-rupture lives and then followed by Co content. W content had the minimum effect on stress-rupture lives. The optimal alloy should contain 10 wt pct Co, 8 wt pct W and zero Ti. The optimized alloy also had good microstructural stability during thermal exposure at 870℃ for 500 h.

Purification and separation of durene by static melt crystallization

The purification and separation of durene from the mixture containing durene isomers were studied.Since the boiling points of tetramethyl benzene isomers are very close but their melting points are of great differences,static melt crystallization was applied to separate and purify durene from its isomers.Crystallization experiments were carried out under various operating conditions.The effects of cooling rate,crystallization temperature,sweating temperature and sweating time on the yield and purity of crystal were investigated.Orthogonal experimental design method was adopted to analyze the factors that may affect the yield of durene.Under the optimal crystallization conditions,the purity of durene could reach as high as 99.06%with the yield of 75.3%through one crystallization process.By fitting purification data based on sweating time in isothermal operations,the purification rate coefficient was obtained.

Effects of runner design and pressurization on the microstructure of a high-pressure die cast Mg-3.0Nd-0.3Zn-0.6Zr alloy

To clarify the relationship between externally solidified crystals(ESCs)and other defects,e.g.,defect bands and pores,two dimensional(2D)and three dimensional(3D)characterization methods were adopted to analyze castings produced using a modified ingate system equipped with and without an ESC collector.The reduction of ESCs strongly reduced defect band width and shrinkage pore quantity.By reducing the quantity and size of ESCs,net-shrinkage pores were transformed into isolated island-shrinkage pores.We determined via statistical analysis that the mechanical properties of high pressure die castings were strongly related to the size and fraction of the ESCs rather than porosity volume.The reduction of ESCs also caused tensile transgranular fracture modes to transform into intergranular fracture modes.Additionally,casting pressurization strongly reduced pore morphology,volume,and size.

A simple theoretical model for evaluating the ability to form a single crystal

A simple theoretical model proposed recently to evaluate the ability of bulk materials to form single crystals is further tested via vast molecular dynamics simulations of growth for fcc （Ni, Cu, A1, Ar） and hcp （Mg） crystals, especially applied to the growth of bcc （Fe） crystal, showing that the validity of the model is independent of crystal types and the interaction potentials of the constitute atoms.

Design and Synthesis of 3-(1-Phenylethyl)thiazolidine-2-thione Derivatives with Potential Biological Activities

A series of novel neonicotinoids derivatives 4a―4p was designed and synthesized by introducing the ethylbenzene group into the thiazole ring, their structures were confirmed by IR, 1H NMR and elemental analysis. The crystal structure of compound 4j has been determined by X-ray diffraction analysis.

Large-scale photonic crystals with inserted defects and their optical properties

Deliberately introducing defects into photonic crystals is an important way to functionalize the photonic crystals. We prepare a special large-scale three-dimensional （3D） photonic crystal （PC） with designed defects by an easy and low-cost method. The defect layer consists of photoresist strips or air-core strips. Field emission scanning electron microscopy （FESEM） shows that the 3D PC is of good quality and the defect layer is uniform. Different defect states shown in the ultraviolet-visible spectra are induced by the photoresist strip layer and air-core strip layer. The special large-scale 3D PC can be tested for integrated optical circuits, and the defects can act as optical waveguides.

The Crystallization Process in Petrochemical Industry

Crystallization is a widely used product refining process.Understanding the characteristics of the crystallization process in the petrochemical industry is helpful to selecting and designing new crystallization processes.This review briefly introduces the characteristics of the crystallization process,summarizes the crystallization processes applied in petrochemical industry,and discusses some points for crystallization process design.Crystallization in the petrochemical process is mainly used in the purification of polymer monomers and is often a unit operation in the whole refining process.Designing a reasonable crystallization process requires consideration of process safety,feasibility,and economy from an overall perspective.

Role of Ag microalloying on glass forming ability and crystallization kinetics of ZrCoAgAlNi amorphous alloy

Bulk metallic glasses(BMGs) with new chemical compositions(ZrCoAgAlNi) were fabricated and the effects of Ag minor addition on the glass forming ability(GFA) and crystallization kinetics were studied. The x-ray diffraction(XRD) test was applied to identify the amorphousness of BMGs or possible crystalline phases. Using differential scanning calorimeter(DSC), the thermal stability and crystallization kinetics under a non-isothermal condition at the different heating rates were studied. Considering the heating rate dependency of glass transition and crystallization kinetics, the activation energy was evaluated and measured for the mentioned processes. It was revealed that the rise in Ag content led to the decrease in activation energy for glass transition, while the activation energy for crystallization increased. The thermal stability and GFA were also studied and it was found that the Ag addition strongly affected the inherent features of BMGs. With the increase in Ag content, the atomic mobility and structural rearrangement changed in the material and consequently, the GFA and thermal stability were significantly improved.