Eu@C86 isomers: Calculated relative populations

Abstract

Relative populations of four energy-lowest IPR (isolated-pentagon-rule) isomers of Eu@C₈₆ are computed using the Gibbs energy based on characteristics from density functional theory calculations (M06-2X/3-21G?～?SDD entropy term, M06-2X/6-31G*～SDD or B2PLYP(D)/6-31G*～SDD energetics). The calculations confirm that the recently isolated Eu@C₁(7)-C₈₆ species is a major isomer in a relevant temperature region. Relationship to the empty C₈₆ cages is discussed, too.     

Effects of Cooling Rate and Component on the Microstructure and Mechanical Properties of Mg–Zn–Y Alloys

The microstructure and mechanical properties of Mg–6Zn–1Y and Mg–6Zn–3Y(wt%) alloys under different cooling rates were investigated. The results show that the second dendrite arm spacing(SDAS) of Mg–6Zn–1Y and Mg–6Zn–3Y is reduced by 32 and 30% with increasing cooling rates(Rc) from 10.2 to 23 K/s, which can be predicted using a empirical model of SDAS=68 R 0:45:45cand SDAS=73 R 0c, respectively. The compressive strength of both alloys increases with increasing the cooling rate, which is attributed to the increase of volume fraction(Vf) of secondary phases under high cooling rate. The interaction of the cooling rate and component with SDAS has been theoretically analyzed using interdependence theory.     

Multicellular Tumor Spheroids (MCTS) as a 3D In Vitro Evaluation Tool of Nanoparticles

Multicellular tumor spheroid models (MCTS) are often coined as 3D in vitro models that can mimic the microenvironment of tissues. MCTS have gained increasing interest in the nano‐biotechnology field as they can provide easily accessible information on the performance of nanoparticles without using animal models. Considering that many countries have put restrictions on animals testing, which will only tighten in the future as seen by the recent developments in the Netherlands, 3D models will become an even more valuable tool. Here, an overview on MCTS is provided, focusing on their use in cancer research as most nanoparticles are tested in MCTS for treatment of primary tumors. Thereafter, various types of nanoparticles—from self‐assembled block copolymers to inorganic nanoparticles, are discussed. A range of physicochemical parameters including the size, shape, surface chemistry, ligands attachment, stability, and stiffness are found to influence nanoparticles in MCTS. Some of these studies are complemented by animal studies confirming that lessons from MCTS can in part predict the behaviour in vivo. In summary, MCTS are suitable models to gain additional information on nanoparticles. While not being able to replace in vivo studies, they can bridge the gap between traditional 2D in vitro studies and in vivo models.     

General Decay Synchronization and H ∞ Synchronization of Multi-weighted Coupled Reaction-diffusion Neural Networks

This paper investigates the general decay synchronization and general decay H∞ synchronization problems of multi-weighted coupled reaction-diffusion     

海面油膜的偏振反射特性仿真实验

为了给海面溢油污染识别检测提供理论基础,根据菲涅尔反射公式的偏振反射系数,结合偏振双向反射率因子和粗糙海面的概率密度分布函数,建立了完善的pBRDF模型,仿真在不同太阳入射角度、不同探测器观测角度以及不同海面风速风向等条件下海水和油膜的偏振反射分布函数。结果表明:海水和油膜太阳天顶角为53°和56°时P偏振反射率分别为1.0×10^-5和2.5×10^-5,S偏振反射率随着太阳天顶角的增加而增加;海面风速越大偏振反射率峰值越小;海面风向只改变pBRDF的空间位置;海水和油膜线偏振度空间分布有明显差异。搭建实验平台相机以40°拍摄时,得出海水和油膜的线偏振度分别在0.2~0.4, 0.5~0.7之间,同时表明利用偏振探测获取目标场景的偏振度和偏振角图可提高图像质量。     

基于特征融合的中文简历解析方法研究

针对基于规则和统计的传统中文简历解析方法效率低、成本高、泛化能力差的缺点，提出一种基于特征融合的中文简历解析方法，即级联Word2Vec生成的词向量和用BLSTM（Bidirectional Long Short-Term Memory）建模字序列生成的词向量，然后再结合BLSTM和CRF（Conditional Random Fields）对中文简历进行解析（BLSTM-CRF）。为了提高中文简历解析的效率，级联包含字序列信息的词向量和用Word2Vec生成的词向量，融合成一个新的词向量表示；再由BLSTM强大的学习能力融合词的上下文信息，输出所有可能标签序列的分值给CRF层；再由CRF引入标签之间约束关系求解最优序列。利用梯度下降算法训练神经网络，使用预先训练的词向量和Dropout优化神经网络，最终完成对中文简历的解析工作。实验结果表明，所提的特征融合方法优于传统的简历解析方法。     

A dense and compact laser cladding layer with solid metallurgical bonding significantly improved corrosion resistance of Mg alloy for engineering applications

Although Mg alloy attracts great attention for engineering applications because of high specific strength and low density, low corrosion resistance limits its extensive use. In this study, Mg–Al–Zn–Mn alloy was treated via a laser cladding process to generate a dense and compact laser cladding layer with solid metallurgical bonding on the substrate for improving corrosion resistance, effectively hindering the corrosion pervasion into Mg alloy. The corrosion current density declined from 103 μA/cm² for Mg alloy to 13 μA/cm² for the laser cladding layer in NaCl aqueous solution. Moreover, the laser cladding layer was slightly corroded in comparison with Mg alloy in NaCl aqueous solution. Besides, the microhardness of the cladding layer reached a mean value of 170.5 HV, 3.1 times of Mg alloy (56.8 HV) due to the in situ formation of hardening intermetallic phases. Wear resistance of laser cladding layer was also obviously improved. These results demonstrated that the laser cladding layer obviously enhanced anticorrosion property of Mg alloy for engineering applications.     

Formation of a protective layer against corrosion on Mg alloy via alkali pretreatment followed by vanillic acid treatment

Although Mg alloy possesses high specific strength, low density, and good biocompatibility, poor corrosion resistance hinders its further applications. In the present study, an innovative protective layer against corrosion was prepared on the AZ31 Mg alloy via alkali pretreatment followed by vanillic acid treatment. The alkali pretreatment supplied –OH for the AZ31 Mg alloy surface to react with vanillic acid. The vanillic acid treatment played a crucial role in enhancing the corrosion resistance due to the excellent ability to act as a barrier and retard aqueous solution penetration, which effectively isolated the underlying Mg alloy from the corrosive environment. The corrosion current density of alkali and vanillic acid-treated Mg alloy (AZ31V) almost showed two orders of magnitude lower values in comparison with that of the AZ31 Mg alloy, and the corrosion potential of AZ31V Mg alloy increased from −1.41 to −1.25 V. The immersion tests proved that there was no occurrence of severe corrosion. Hence, the alkali pretreatment and vanillic acid treatment may represent a promising method to improve the corrosion resistance of Mg alloy.     

Adaptive neural network output feedback control of incommensurate fractional-order PMSMs with input saturation via command filtering and state observer

Neural Computing and Applications - In this paper, an adaptive neural network (NN) output feedback control is investigated for incommensurate fractional-order permanent magnet synchronous motors...