Phase Stability and Elastic Properties of Chromium Borides with Various Stoichiometries

Phase stability is important to the application of materials. By first‐principles calculations, we establish the phase stability of chromium borides with various stoichiometries. Moreover, the phases of CrB₃ and CrB₄ have been predicted by using a newly developed particle swarm optimization (PSO) algorithm. Formation enthalpy–pressure diagrams reveal that the MoB‐type structure is more energetically favorable than the TiI‐type structure for CrB. For CrB₂, the WB₂‐type structure is preferred at zero pressure. The predicted new phase of CrB₃ belongs to the hexagonal P‐6m2 space group and it transforms into an orthorhombic phase as the pressure exceeds 93 GPa. The predicted CrB₄ (space group: Pnnm) phase is more energetically favorable than the previously proposed Immm structure. The mechanical and thermodynamic stabilities of predicted CrB₃ and CrB₄ are verified by the calculated elastic constants and formation enthalpies. The full phonon dispersion calculations confirm the dynamic stability of WB₂‐type CrB₂ and predicted CrB₃. The large shear moduli, large Young’s moduli, low Poisson ratios, and low bulk and shear modulus ratios of CrB₄? PS_C and CrB₄? PS_D indicate that they are potential hard materials. Analyses of Debye temperature, electronic localization function, and electronic structure provide further understanding of the chemical and physical properties of these borides.     

Artificial Neural Networks in water analysis: Theory and applications

Artificial Neural Networks (ANNs) have seen an explosion of interest over the last two decades and have been successfully applied in all fields of chemistry and particularly in analytical chemistry. Inspired from biological systems and originated from the perceptron, i.e. a program unit that learns concepts, ANNs are capable of gradual learning over time and modelling extremely complex functions. In addition to the traditional multivariate chemometric techniques, ANNs are often applied for prediction, clustering, classification, modelling of a property, process control, procedural optimisation and/or regression of the obtained data. This paper aims at presenting the most common network architectures such as Multi-layer Perceptrons (MLPs), Radial Basis Function (RBF) and Kohonen's self-organisations maps (SOM). Moreover, back-propagation (BP), the most widespread algorithm used today and its modifications, such as quick-propagation (QP) and Delta-bar-Delta, are also discussed. All architectures correlate input variables to output variables through non-linear, weighted, parameterised functions, called neurons. In addition, various training algorithms have been developed in order to minimise the prediction error made by the network. The applications of ANNs in water analysis and water quality assessment are also reviewed. Most of the ANNs works are focused on modelling and parameters prediction. In the case of water quality assessment, extended predictive models are constructed and optimised, while variables correlation and significance is usually estimated in the framework of the predictive or classifier models. On the contrary, ANNs models are not frequently used for clustering/classification purposes, although they seem to be an effective tool. ANNs proved to be a powerful, yet often complementary, tool for water quality assessment, prediction and classification.     

红外成像系统NETD参数测试算法及应用研究

噪声等效温差(NETD)是表征红外成像系统灵敏度的关键参数,也是评估红外成像系统性能的重要参数之一,应用广泛。通过对红外成像系统3D噪声、信号传递函数(SiTF)、NETD等参数测试方法、算法和流程研究,给出一种基于视频文件的3D噪声离线对比测试方法和一种SiTF线性区自动判断计算斜率算法,在此基础上针对某型技术保障装备国产化光电检测平台开发了配套应用软件功能模块。实现了通过计算单位均方根噪声所对应的SiTF斜率值,分析得出系统NETD参数值的功能。以某型热像仪为被测对象,开展了测试结果重复性和一致性试验,并与美国Optikos公司I-SITE红外整机测试系统进行了对比测试。实验结果表明开发的NETD参数测试功能模块测试精度和重复性满足设计要求,具有较高实用价值,已进行了工程应用。     

基于机械-化学的方法在硅表面制造功能化结构

"利用机械与化学结合的方法在芳烃重氮盐溶液中用金刚石刀具切削硅片,使得芳香烃分子和硅之间以共价键连接,实现了对硅片的"成形并功能化"的一步完成．研究了在大气环境如何利用金刚石刀具在硅表面加工出表面质量较好的微结构,为下一步在溶液中"成形并功能化"硅提供好的基底．在溶液中对硅表面进行可控自组装实验,初步研究了切削速度和组装时间对切削处生成自组装膜质量的影响,总结出较适合膜生长的参数．用X射线光电子能谱对自组装膜进行了检测,用扫描电子显微镜和原子力显微镜对自组装膜的表面形貌进行了表征,并用原子力显微镜对自     

A novel graphene nanoribbon field effect transistor with two different gate insulators

In this paper, a novel structure for a dual-gated graphene nanoribbon field-effect transistor (GNRFET) is offered, which combines the advantages of high and low dielectric constants. In the proposed Two Different Insulators GNRFET (TDI-GNRFET), the gate dielectric at the drain side is a material with low dielectric constant to form smaller capacitances, while in the source side, there is a material with high dielectric constant to improve On-current and reduce the leakage current. Simulations are performed based on self-consistent solutions of the Poisson equation coupled with Non-Equilibrium Green's Function (NEGF) formalism in the ballistic regime. We assume a tight-binding Hamiltonian in the mode space representation. The results demonstrate that TDI-GNRFET has lower Off-current, higher On-current and higher transconductance in comparison with conventional low-K GNRFET. Furthermore, using a top-of-the-barrier two-dimensional circuit model, some important circuit parameters are studied. It is found that TDI-GNRFET has smaller capacitances, lower intrinsic delay time and shorter power delay product (PDP) in comparison with high-K GNRFET. Moreover, mobile charge and average velocity are improved in comparison with low dielectric constant GNRFET. The results show that the TDI-GNRFET can provide Drain Induced Barrier Lowering (DIBL) and Subthreshold Swing near their theoretical limits.     

Two-dimensional function photonic crystals

In this paper, we have studied two-dimensional function photonic crystals, in which the dielectric constants of medium columns are the functions of space coordinates , that can become true easily by electro-optical effect and optical kerr effect. We calculated the band gap structures of TE and TM waves, and found the TE (TM) wave band gaps of function photonic crystals are wider (narrower) than the conventional photonic crystals. For the two-dimensional function photonic crystals, when the dielectric constant functions change, the band gaps numbers, width and position should be changed, and the band gap structures of two-dimensional function photonic crystals can be adjusted flexibly, the needed band gap structures can be designed by the two-dimensional function photonic crystals, and it can be of help to design optical devices.     

基于公式真度的公式集约简

基于经典命题逻辑的真度理论,讨论了经典命题逻辑系统当中公式集的约简问题。提出了真度约简及α-真度约简的概念,为公式集的约简提供了一种可行的操作方法。     

On the order of summability of the Fourier inversion formula

In this article we show that the order of the point value, in the sense of Łojasiewicz, of a tempered distribution and the order of summability of the pointwise Fourier inversion formula are closely related. Assuming that the order of the point values and certain order of growth at infinity are given for a tempered distribution, we estimate the order of summability of the Fourier inversion formula. For Fourier series, and in other cases, it is shown that if the distribution has a distributional point value of order k, then its Fourier series is e.v. Cesàro summable to the distributional point value of order k+1. Conversely, we also show that if the pointwise Fourier inversion formula is e.v. Cesàro summable of order k, then the distribution is the (k+1)-th derivative of a locally integrable function, and the distribution has a distributional point value of order k+2. We also establish connections between orders of summability and local behavior for other Fourier inversion problems.     

A characterization of

This work is devoted to the relationship between topological properties of a space and those of (= the space of continuous real-valued functions on , with the topology of pointwise convergence). The emphasis is on -compactness of and on location of in . In particular, -compact cosmic spaces are characterized in this way.