含硅聚合物中小分子扩散行为的分子模拟

选择PCFF和COMPASS分子力场对橡胶态聚合物PDMS 和玻璃态聚合物PS1体系进行模拟。COMPASS力场模拟得到的体系密度，O2和N2在PDMS与PS1中扩散系数更接近实验值。在模型大小一定时，Group-based求和法中截断距离越长，耗用机时越长，但对计算结果改进不大;截断距离为1.3 nm时计算结果最好。Ewald方法耗时多而对计算结果却无明显改进。体系大小对扩散系数的计算值影响甚微。体积越小的分子，在聚合物中运动的范围越大，扩散系数越大。氧气和氮气分子在PDMS与PS1中运动轨迹不同，在PS1中氧气运动范围远大于氮气，而在PDMS中氧气运动范围稍大于氮气。小分子运动轨迹基本与聚合物自由体积分布对应，自由体积分数大，扩散系数也大。     

Effect of deposition time on microstructures and growth behavior of ZrC coatings prepared by low pressure chemical vapor deposition with the Br<Subscript>2</Subscript>-Zr-C<Subscript>3</Subscript>H<Subscript>6</Subscript>-H<Subscript>2</Subscript>-Ar System

ZrC coatings were deposited on graphite substrates by low pressure chemical vapor deposition (LPCVD) with the Br₂-Zr-C₃H₆-H₂-Ar system. The effects of deposition time on the microstructures and growth behavior of ZrC coatings were investigated. ZrC coating grew in an island-layer mode. The formation of coating was dominated by the nucleation of ZrC in the initial 20 minutes, and the rapid nucleation generated a fine-grained structure of ZrC coating. When the deposition time was over 30 min, the growth of coating was dominated by that of crystals, giving a column-arranged structure. Energy dispersive X-ray spectroscopy showed that the molar ratio of carbon to zirconium was near 1:1 in ZrC coating, and X-ray photoelectron spectroscopy showed that ZrC was the main phase in coatings, accompanied by about 2.5mol% ZrO₂ minor phase.     

钛合金表面声电沉积／碱热处理法制备HA涂层研究

为了使钛合金（Ti-6Al-4V）具有生物活性，可在其表面施加生物活性羟基磷灰石（HA）涂层。对比了声电沉积法和碱热处理法实验结果，采用扫描电镜（SEM）、X射线衍射仪（XRD）、电子能谱（EDS）、傅立叶红外透射光谱（FTIR）以及划痕测试等进行了分析。结果表明，直接采用声电沉积法在钛合金表面制备的羟基磷灰石涂层，经热处理后存在龟裂剥落现象；通过碱热处理法，对钛合金基体表面进行预处理，然后，借助声电沉积法，在钛金属表面沉积了透钙磷石涂层，经热碱液处理转变成的羟基磷灰石涂层，涂层完整，未出现剥落。经进一步高温烧结处理，所制涂层仍呈片状形貌，其由部分含钠的羟基磷灰石组成，而且HA涂层破坏的临界载荷未烧结前的4．365N提高至烧结后的8．175N。     

Video archaeology: understanding video manipulation history

Facing the explosive growth of near-duplicate videos, video archaeology is quite desired to investigate the history of the manipulations on these videos. With the determination of derived videos according to the manipulations, a video migration map can be constructed with the pair-wise relationships in a set of near-duplicate videos. In this paper, we propose an improved video archaeology (I-VA) system by extending our previous work (Shen et al. 2010). The extensions include more comprehensive video manipulation detectors and improved techniques for these detectors. Specially, the detectors are used for two categories of manipulations, i.e., semantic-based manipulations and non-semantic-based manipulations. Moreover, the improved detecting algorithms are more stable. The key of I-VA is the construction of a video migration map, which represents the history of how near-duplicate videos have been manipulated. There are various applications based on the proposed I-VA system, such as better understanding of the meaning and context conveyed by the manipulated videos, improving current video search engines by better presentation based on the migration map, and better indexing scheme based on the annotation propagation. The system is tested on a collection of 12,790 videos and 3,481 duplicates. The experimental results show that I-VA can discover the manipulation relation among the near-duplicate videos effectively.     

Image categorization: Graph edit distance+edge direction histogram

This paper presents a novel algorithm for computing graph edit distance (GED) in image categorization. This algorithm is purely structural, i.e., it needs only connectivity structure of the graph and does not draw on node or edge attributes. There are two major contributions: (1) Introducing edge direction histogram (EDH) to characterize shape features of images. It is shown that GED can be employed as distance of EDHs. This algorithm is completely independent on cost function which is difficult to be defined exactly. (2) Computing distance of EDHs with earth mover distance (EMD) which takes neighborhood bins into account so as to compute distance of EDHs correctly. A set of experiments demonstrate that the newly presented algorithm is available for classifying and clustering images and is immune to the planar rotation of images. Compared with GED from spectral seriation, our algorithm can capture the structure change of graphs better and consume 12.79% time used by the former one. The average classification rate is 5% and average clustering rate is 25% higher than the spectral seriation method.     

无线充电系统电磁屏蔽与效率优化技术研究

在电动汽车无线电能传输系统中,磁屏蔽效果往往以牺牲传输效率为代价,如何减少磁泄漏的同时提高传输效率是一 个难题。 为此本文提出了一种新型强耦合磁屏蔽结构来减少系统磁泄漏。 首先,提出了一种强耦合磁屏蔽线圈结构,基于提出 的屏蔽线圈结构,分析了屏蔽线圈阻抗特性对系统漏磁与传输效率的影响;其次,给出了一种漏磁优化流程,运用提出的优化流 程,得到了满足设计要求的各线圈参数;最后,根据得到的线圈参数研制了一套基于电动汽车带磁屏蔽结构的无线充电系统,通 过仿真和实验验证了所提结构与方法的有效性。 结果显示,提出的新型强耦合磁屏蔽线圈不仅使系统的磁泄漏有效降低了 28%,且传输效率提升了近 4%。     

Mitigating Surface Deficiencies of Perovskite Single Crystals Enables Efficient Solar Cells with Enhanced Moisture and Reverse-Bias Stability

Metal halide perovskite single crystals are promising for diverse optoelectronic applications due to their outstanding properties. In comparison to the bulk, the crystal surface suffers from high defect density and is moisture sensitive; however, surface modification strategies of perovskite single crystals are relatively deficient. Herein, solar cells based on methylammonium lead triiodide (MAPbI₃) thin single crystals are selected as a prototype to improve single-crystal perovskite devices by surface modification. The surface trap passivation and protection against moisture of MAPbI₃ thin single crystals are achieved by one bifunctional molecule 3-mercaptopropyl(dimethoxy)methylsilane (MDMS). The sulfur atom of MDMS can coordinate with bare Pb²⁺ of MAPbI₃ single crystals to reduce surface defect density and nonradiative recombination. As a result, the modified devices show a remarkable efficiency of 22.2%, which is the highest value for single-crystal MAPbI₃ solar cells. Moreover, MDMS modification mitigates surface ion migration, leading to enhanced reverse-bias stability. Finally, the cross-link of silane molecules forms a protective layer on the crystal surface, which results in enhanced moisture stability of both materials and devices. This work provides an effective way for surface modification of perovskite single crystals, which is important for improving the performance of single-crystal perovskite solar cells, photodetectors, X-ray detectors, etc.     

Unveiling the Synergy of Interfacial Contact and Defects in α-Fe2O3 for Enhanced Photo-Electrochemical Water Splitting

Photo-electrochemical (PEC) water splitting is a promising method for converting solar energy into clean energy, but the mechanism of improving PEC efficiency through the interfacial contact and defect strategy remains highly controversial. Herein, reduced graphene oxide (rGO) and oxygen vacancies are introduced into α-Fe₂O₃ nanorod (NR) arrays using a simple spin-coating method and acid treatment. The resultant oxygen vacancy–α-Fe₂O₃/rGO-integrated system exhibits a higher photocurrent, four times than the pristine α-Fe₂O₃. It is well evidenced that the electronic interface interaction between α-Fe₂O₃ and rGO is boosted with the oxygen vacancies, facilitating electron transfer from α-Fe₂O₃ to rGO. Moreover, the oxygen vacancies not only create interband states in α-Fe₂O₃ that can trap photogenerated holes and thus facilitate charge separation but significantly also strengthen the adsorption of oxidative intermediates and reduce the energy barrier of rate-determining step during oxygen evolution reaction (OER). This study demonstrates an rGO–oxygen vacancy synergistic interfacial contact and defect modification approach to design semiconducting photocatalysts for high-efficiency solar energy capture and conversion. The generated principle is expected to be extendable to another material system.     

A high sensitivity localized surface plasmon resonance sensor based on D-shaped photonic crystal fiber for low refractive index detection

In this paper, a localized surface plasmon resonance (LSPR) refractive index sensor based on photonic crystal fiber (PCF) is proposed to solve the problem of low refractive index analyte detection. 31 silver nanowires are placed on the surface of the D-shaped PCF, which increases the contact area between the plasma material and the analyte. The simulation results indicate that the maximum sensitivity of the sensor reaches 16 400 nm/RIU, and the refractive index detection range is 1.26—1.33. It is proved that the sensor has a good prospect in low refractive index detection.     

生物医用多孔钛及钛合金激光快速成形研究进展

多孔钛及钛合金具有良好的生物相容性和与人骨更匹配的力学性能,是人体理想的替代材料,因此其制备技术及相关性能研究引起了广泛关注。激光快速成形是一项先进的制造技术,在制备生物多孔金属材料时具有独特的优势。介绍了激光快速成形的工作原理和技术特征,根据成形工艺特点简要回顾了4种代表性激光快速成形技术(选择性激光烧结、选择性激光熔化、激光近净成形和激光立体成形)的国内外发展现状,并重点论述了这几种技术在制备生物医用多孔钛及钛合金方面的最新研究进展,最后指出了今后在该领域的主要研究工作。