Plastic surface strain mapping of bent sheets by image correlation

A technique using a single CCD camera, a precision rotation/translation stage, a telecentric zoom lens, and digital image correlation software is described for measuring surface profiles and surface plastic strain distributions of a bent thin sheet. The measurement principles, based on both parallel and pinhole perspective projections, are outlined and the relevant mathematical equations for computing the profiles and displacement fields on a curved surface are presented. The typical optical setup as well as the experimental measurement and digital image correlation analysis procedure are described. The maximum errors in the in-plane and out-of-plane coordinates or displacements are about ±5 and ±25 μm, respectively, and the maximum errors in surface strain mapping are about 0.1% or less based on a series of evaluation tests on flat and curved sample surfaces over a physical field of view of 15.2 × 11.4 mm². As an application example, the shape and surface plastic strain distribution example, the shape and surface plastic strain distributions around a bent apex of a flat 2 mm thick automotive aluminum AA5182-O sheet, which underwent a 90° bend with three bend ratios of 2t, 1t, and 0.6t, are determined using the proposed technique.     

基于Surfer平台的FLAC3D 复杂三维地质建模研究

复杂三维地质体模型的建立一直是FLAC^3D软件前处理过程中的一个难题。因此,提出以Surfer软件为过渡平台,通过对地表及岩层分界面三维地质信息的提取、转换,并将Surfer输出的数据经由FLAC^3D软件内嵌的Fish语言编制的程序的二次转换,生成FLAC^3D软件可以直接读取的模型数据文件,从而实现了该软件前处理过程中复杂三维地质模型的快速、准确建立。同时结合工程实际,检验了该方法的可行性和仿真效果,结果表明,建模过程简捷、实用,可操作性强,是FLAC^3D软件前处理的一种新方法。     

Stereoselective Synthesis of (Z)‐ and (E)‐Allyl Aryl Sulfides and Selenides from Baylis?Hillman Acetates under Neutral Conditions Using β‐Cyclodextrin in Water

The first example of the stereoselective synthesis of (Z)‐ and (E)‐allyl aryl sulfides and selenides from Baylis? Hillman acetates under neutral conditions in H₂O by supramolecular catalysis involving β‐cyclodextrin is reported. β‐Cyclodextrin can be recovered and reused. The reaction is very efficient in providing allyl aryl sulfides and selenides in good‐to‐excellent yields with clean reaction profiles under mild reaction conditions.     

Mixed Conduction in BaCe0.8Pr0.2O3-α Ceramic

BaCe0.8Pr0.2O3-α ceramic was synthesized by high temperature solid-state reaction. The structural characteristics and the phase purity of the crystal were determined using powder X-ray diffraction analysis. By using the methods of AC impedance spectroscopy, gas concentration cell and electrochemical pumping of hydrogen, the conductivity and ionic transport number of BaCe0.8Pr0.2O3-α were measured, and the electrical conduction behavior of the material was investigated in different gases in the temperature range of 500-900 ffiC. The results indicate that the material was of a single perovskite-type orthorhombic phase. From 500 ffiC to 900 ffiC, electronic-hole conduction was dominant in dry and wet oxygen, air or nitrogen, and the total conductivity of the material increased slightly with increasing oxygen partial pressure in the oxygen partial pressure range studied. Ionic conduction was dominant in wet hydrogen, and the total conductivity was about one or two orders of magnitude higher than that in hydrogen-free atmosphere (oxygen, air or nitrogen).     

Theoretical Studies on Electronic Structures and Spectroscopy of Fluorescent Arylamino Fumaronitrile

A new series of fluorescent arylamino fumarinitrile derivatives was designed and optimized using density function theory at the B3LYP/6-31G* level. Based on the optimized geometries, the electronic, fluorescent and 13C NMR spectra are calculated with INDO/CIS, CIS-ZINDO TD, and B3LYP/6-31G* methods, respectively. Starting with the first of the series, the LUMO-HOMO energy gaps of the derivatives become wider and the fluorescent wavelengths and the main peaks in the electronic spectra are blue-shifted owing to the large steric effect of naphthyl rings. On the contrary, the energy gaps of the derivatives turn narrow, and the fluorescent wavelengths and the main peaks in the electronic spectra are red-shifted since hydroxyl groups improve the symmetry and extend the conjugation system. The chemical shifts of sp2-C on the phenyl rings are moved upfield, while chemical shifts of carbon atoms on the cyano groups and those connected with the cyano groups are changed downfield in the presence of hydroxyl groups.     

Development of a 3D Eulerian/Lagrangian Aircraft Icing Simulation Solver Based on OpenFOAM

A 3D icing simulation code is developed in the open-source CFD toolbox OpenFOAM. A hybrid Cartesian/body-fitted meshing method is used to generate high-quality meshes around complex ice shapes. Steady-state 3D Reynolds-averaged Navier-Stokes (RANS) equations are solved to provide the ensemble-averaged flow around the airfoil. Considering the multi-scale nature of droplet size distribution, and more importantly, to represent the less uniform nature of the Super-cooled Large Droplets (SLD), two droplet tracking methods are realized: the Eulerian method is used to track the small-size droplets (below 50 μm) for the sake of efficiency; the Lagrangian method with random sampling is used to track the large droplets (above 50 μm); the heat transfer of the surface overflow is solved on a virtual surface mesh; the ice accumulation is estimated via the Myers model; finally, the final ice shape is predicted by time marching. Limited by the availability of experimental data, validations are performed on 3D simulations of 2D geometries using the Eulerian and Lagrangian methods, respectively. The code proves to be feasible and accurate enough in predicting ice shapes. Finally, an icing simulation result of the M6 wing is presented to illustrate the full 3D capability.     

Design and Synthesis of Coumarin Derivatives as Cytotoxic Agents through PI3K/AKT Signaling Pathway Inhibition in HL60 and HepG2 Cancer Cells

In this study, a series of coumarin derivatives, either alone or as hybrids with cinnamic acid, were synthesized and evaluated for their cytotoxicity against a panel of cancer cells using the MTT assay. Then, the most active compounds were inspected for their mechanism of cytotoxicity by cell-cycle analysis, RT-PCR, DNA fragmentation, and Western blotting techniques. Cytotoxic results showed that compound (4) had a significant cytotoxic effect against HL60 cells (IC₅₀ = 8.09 µM), while compound (8b) had a noticeable activity against HepG2 cells (IC₅₀ = 13.14 µM). Compounds (4) and (8b) mediated their cytotoxicity via PI3K/AKT pathway inhibition. These results were assured by molecular docking studies. These results support further exploratory research focusing on the therapeutic activity of coumarin derivatives as cytotoxic agents.     

A Molecular Electron Density Theory Study of the [3+2] Cycloaddition Reaction of an Azomethine Ylide with an Electrophilic Ethylene Linked to Triazole and Ferrocene Units

The [3+2] cycloaddition (32CA) reaction of an azomethine ylide (AY) with an electrophilic ethylene linked to triazole and ferrocene units has been studied within the Molecular Electron Density Theory (MEDT) at the ωB97X-D/6-311G(d,p) level. The topology of the electron localization function (ELF) of this AY allows classifying it as a pseudo(mono)radical species characterized by the presence of two monosynaptic basins, integrating a total of 0.76 e, at the C1 carbon. While the ferrocene ethylene has a strong electrophilic character, the AY is a supernucleophile, suggesting that the corresponding 32CA reaction has a high polar character and a low activation energy. The most favorable ortho/endo reaction path presents an activation enthalpy of 8.7 kcal·mol⁻¹, with the 32CA reaction being exergonic by −42.1 kcal·mol⁻¹. This reaction presents a total endo stereoselectivity and a total ortho regioselectivity. Analysis of the global electron density transfer (GEDT) at the most favorable TS-on (0.23 e) accounts for the high polar character of this 32CA reaction, classified as forward electron density flux (FEDF). The formation of two intermolecular hydrogen bonds between the two interacting frameworks at the most favorable TS-on accounts for the unexpected ortho regioselectivity experimentally observed.     

Facile Synthesis of NiCo2O4 Nanowire Arrays/Few-Layered Ti3C2-MXene Composite as Binder-Free Electrode for High-Performance Supercapacitors

Herein, a 3D hierarchical structure is constructed by growing NiCo₂O₄ nanowires on few-layer Ti₃C₂ nanosheets using Ni foam (NF) as substrate via simple vacuum filtration and solvothermal treatment. Ti₃C₂ nanosheets are directly anchored on NF surface without binders or surfactants, and NiCo₂O₄ nanowires composed of about 15 nm nanoparticles uniformly grow on Ti₃C₂/NF skeleton, which can provide abundant active sites and ion diffusion pathways for enhancing electrochemical performance. Benefiting from the unique structure feature and the synergistic effects of active materials, NiCo₂O₄/Ti₃C₂ exhibits a high specific capacitance of 2468 F g⁻¹ at a current density of 0.5 A g⁻¹ and a good rate performance. Based on this, an asymmetric supercapacitor (ASC) based on NiCo₂O₄/Ti₃C₂ as positive electrode and activated carbon (AC)/NF as negative electrode is assembled. The ASC achieves a high specific capacitance of 253 F g⁻¹ at 1 A g⁻¹ along with 91.5% retention over 10,000 cycles at 15 A g⁻¹. Furthermore, the ACS presents an outstanding energy density of 90 Wh kg⁻¹ at the power density of 2880 W kg⁻¹. This work provides promising guidance for the fabrication of binder-free, free-standing and hierarchical composites for energy storage application.     

Enhanced Visible-Light-Driven Photocatalytic Activity by Fe(Ш)-Doped Graphitic C3N4

Fe(Ш)-doped graphitic carbon nitride (Fe(Ш)-CN) photocatalysts with various Fe(Ш) ions content were prepared via ultrasonic method. Detailed physical characterization indicated that Fe(Ш) ions had been successfully doped into the frame of g-C₃N₄. The photocatalytic activities were investigated, and methyl orange (MO) and tetracycline hydrochloride (TC) were used as the targeted pollutants. The as-prepared Fe(Ш)-CN materials exhibited higher photocatalytic activities than those of the pure g-C₃N₄. Specifically, the degradation rate of 2Fe(Ш)-CN under visible light was 2.06 times higher for MO and 2.65 times higher for TC than that of g-C₃N₄. The increased photocatalytic activities of Fe(Ш)-CN were mainly attributed to the enhanced light absorption ability and the rapid separation of photogenerated carriers. Moreover, the importance of active species during the reaction process was also explored, and the results indicated that •O₂⁻ is the main active species.