Carbon corrosion mechanism on nitrogen-doped carbon support — A density functional theory study

In this work, density functional theory (DFT) calculations were used to investigate the mechanism of carbon corrosion on nitrogen-doped carbon support. Free energy diagrams were generated based on three proposed reaction pathways to evaluate corrosion mechanisms. The most energetically preferred mechanism on nitrogen-doped carbon was determined. The results show that the step of water dissociation to form ^#OH was the rate-determining step for gra-G-1N (graphene doped with graphitic N) and pyrr-G-1N (graphene doped with pyrrolic N). As for graphene doped with pyridinic N, the step of C^#OC^#O formation was critical. It was found that the control of nitrogen concentration was necessary for precisely designing optimized carbon materials. Abundance of nitrogen moieties aggravated the carbon corrosion. When the high potential was applied, specific types of graphitic N and pyridinic N were found to be favorable carbon modifications to improve carbon corrosion resistance. Moreover, the solvent effect was also investigated. The results provide theoretical insights and design guidelines to improve corrosion resistance in carbon support through material modification by inhibiting the adsorption of surface oxides (OH, O, and OOH).     

Theoretical Prediction of Chiral 3D Hybrid Organic–Inorganic Perovskites

Hybrid organic–inorganic perovskites (HOIPs), in particular 3D HOIPs, have demonstrated remarkable properties, including ultralong charge‐carrier diffusion lengths, high dielectric constants, low trap densities, tunable absorption and emission wavelengths, strong spin–orbit coupling, and large Rashba splitting. These superior properties have generated intensive research interest in HOIPs for high‐performance optoelectronics and spintronics. Here, 3D hybrid organic–inorganic perovskites that implant chirality through introducing the chiral methylammonium cation are demonstrated. Based on structural optimization, phonon spectra, formation energy, and ab initio molecular dynamics simulations, it is found that the chirality of the chiral cations can be successfully transferred to the framework of 3D HOIPs, and the resulting 3D chiral HOIPs are both kinetically and thermodynamically stable. Combining chirality with the impressive optical, electrical, and spintronic properties of 3D perovskites, 3D chiral perovskites is of great interest in the fields of piezoelectricity, pyroelectricity, ferroelectricity, topological quantum engineering, circularly polarized optoelectronics, and spintronics.     

太平油田馆陶组下段辫状河储层地震反射假象分析

太平油田位于义和庄凸起北坡东部，主要含油层为馆陶组下段发育的辫状河储层。河流相频繁的决口、改道及辫状河流相砂体发育位置和砂体空间配置关系的特殊性，使得其在地震剖面上产生了反射假象，从而使对辫状河储层层位的追踪及砂体的描述变得异常困难。从馆陶组下段辫状河储层的发育特征及地震观测因素出发，阐述了馆陶组下段辫状河地震反射假象产生的原因。提出了利用地震资料分频解释技术和设计多井约束反演可较为准确地识别辫状河储层的反射假象。     

45号钢二次枝晶臂间距与冷却速度的关系

本文利用可控平均冷却速度的单向凝固实验炉测定了４５号钢在不同平均冷却速度下的冷却曲线，由此得到其在凝固期间的平均冷却速度Ｒ，相应地测量了不同平均冷却速度下试样的二次枝晶臂间距Ｓ２，通过回归，得到了如下关系式：Ｓ２＝７２７Ｒ－０．４１，并将引式成功地应用于实际生产中。     

本钢7号高炉中控室10kV供电系统技术分析及改进方案实施

根据7号高炉中控室供电状况，进行了供电平衡分析。调整两段负荷，使供电平衡安全。     

压电主动杆位置和增益在随机智能桁架结构振动控制中的优化

对结构物理参数、几何尺寸、作用荷载和控制力同时具有随机性时 ,随机压电智能桁架结构中主动杆的配置位置和闭环控制系统增益进行了优化 ,基于系统最小储存能 ,构建了具有动应力、动位移可靠性约束的主动杆配置和控制增益的优化模型 ;并对结构动力响应的数字特征进行了推导。通过算例 ,验证了该优化配置模型的合理性和有效性 ,获得了若干有意义的结论。     

The parameterized level set method for structural topology optimization with shape sensitivity constraint factor

In recent years, the parameterized level set method (PLSM) has attracted widespread attention for its good stability, high efficiency and the smooth result of topology optimization compared with the conventional level set method. In the PLSM, the radial basis functions (RBFs) are often used to perform interpolation fitting for the conventional level set equation, thereby transforming the iteratively updating partial differential equation (PDE) into ordinary differential equations (ODEs). Hence, the RBFs play a key role in improving efficiency, accuracy and stability of the numerical computation in the PLSM for structural topology optimization, which can describe the structural topology and its change in the optimization process. In particular, the compactly supported radial basis function (CS-RBF) has been widely used in the PLSM for structural topology optimization because it enjoys considerable advantages. In this work, based on the CS-RBF, we propose a PLSM for structural topology optimization by adding the shape sensitivity constraint factor to control the step length in the iterations while updating the design variables with the method of moving asymptote (MMA). With the shape sensitivity constraint factor, the updating step length is changeable and controllable in the iterative process of MMA algorithm so as to increase the optimization speed. Therefore, the efficiency and stability of structural topology optimization can be improved by this method. The feasibility and effectiveness of this method are demonstrated by several typical numerical examples involving topology optimization of single-material and multi-material structures.

     

PTT／PP／PP-g-MAH共混材料的形态与性能研究

研究了马来酸酐接枝聚丙烯(PP-g-MAH)对聚对苯二甲酸丙二酯(PTT)/聚丙烯(PP)共混体系的形态结构和性能的影响。结果表明,PP在PTT连续相中分散均匀,粒子尺寸随着增容剂含量的增加而细化,分散相与连续相之间有较好的黏结作用,PP-g-MAH改善了PP与PTT的相容性。共混物熔体为假塑性流体,其假塑性随PP-g-MAH含量的增加而升高,熔体表观黏度从1．31 Pa·s降低到1．19 Pa·s,黏流活化能从64．5 kJ/mol降低到36．7 kJ/mol。共混物中PTT和PP可分别结晶,但结晶行为相互影响,PP-g-MAH促进了PTT在高温结晶。共混物的冲击强度随着PP-g-MAH含量的增加从14．2 kJ/m~2提高到33．5 kJ/m~2,拉伸强度在PP-g-MAH含量为5％～10％(质量分数,下同)时最大。共混物的热稳定性随着PP-g-MAH含量的增加而逐渐降低。     

Coupling-and-decoupling: A hierarchical model for occlusion-free object detection

Handling occlusion is a very challenging problem in object detection. This paper presents a method of learning a hierarchical model for X-to-X occlusion-free object detection (e.g., car-to-car and person-to-person occlusions in our experiments). The proposed method is motivated by an intuitive coupling-and-decoupling strategy. In the learning stage, the pair of occluding X?s (e.g., car pairs or person pairs) is represented directly and jointly by a hierarchical And–Or directed acyclic graph (AOG) which accounts for the statistically significant co-occurrence (i.e., coupling). The structure and the parameters of the AOG are learned using the latent structural SVM (LSSVM) framework. In detection, a dynamic programming (DP) algorithm is utilized to find the best parse trees for all sliding windows with detection scores being greater than the learned threshold. Then, the two single X?s are decoupled from the declared detections of X-to-X occluding pairs together with some non-maximum suppression (NMS) post-processing. In experiments, our method is tested on both a roadside-car dataset collected by ourselves (which will be released with this paper) and two public person datasets, the MPII-2Person dataset and the TUD-Crossing dataset. Our method is compared with state-of-the-art deformable part-based methods, and obtains comparable or better detection performance.     

Melting,crystallization behaviors,and nonisothermal crystallization kinetics of PET/PTT/PBT ternary blends

The melting, crystallization behaviors, and nonisothermal crystallization kinetics of the ternary blends composed of poly(ethylene terephthalate), poly(trimethylene terephthalate) (PTT) and poly(buthylene terephthalate) (PBT) were studied with differential scanning calorimeter (DSC). PBT content in all ternary blends was settled invariably to be one‐third, which improved the melt‐crystallization temperature of the ternary blends. All of the blend compositions in amorphous state were miscible as evidenced by a single, composition‐dependent glass transition temperature (T_g) observed in DSC curves. DSC melting thermograms of different blends showed different multiple melting and crystallization peaks because of their various polymer contents. During melt‐crystallization process, three components in blends crystallized simultaneously to form mixed crystals or separated crystals depending upon their content ratio. The Avrami equation modified by Jeziorny and the Ozawa theory were employed to describe the nonisothermal crystallization process of two selected ternary blends. The results spoke that the Avrami equation was successful in describing the nonisothermal crystallization process of the ternary blends. The values of the t_1/2 and the parameters Z_c showed that the crystallization rate of the ternary blends with more poly(ethylene terephthalate) content was faster than that with the lesser one at a given cooling rate. The crystal morphology of the five ternary blends investigated by polarized optical microscopy (POM) showed different size and distortional Maltese crosses or light spots when the PTT or poly(ethylene terephthalate) component varied, suggesting that the more the PTT content, the larger crystallites formed in ternary blends. © 2007 Wiley Periodicals, Inc. J Appl Polym Sci, 2007