Structural study of cubic pyrochlores based on quantum mechanical simulation

In the ideal A₂B₂O₆O′ pyrochlore structure, the x-value of O atom position is a variable parameter. In Bi_1.5ZnNb_1.5−xTa_xO₇ (BZNT) cubic pyrochlores, the x-values alter with the different compositions of Nb/Ta. In this work, a series of initial models for BZNT were established by analyzing X-ray diffraction data. Then three structure modifying methods, including Rietveld refinement, Rietveld refinement with energy and geometry optimization based on quantum mechanics, were employed to obtain the precise models using Materials Studio. Moreover, the reflectivities of BZNT were computed by quantum mechanical simulation based on the refined models. Comparing the simulation results from different modifying models with the experimental results, it is found that Rietveld refinement with energy optimization is the most accurate method for BZNT pyrochlores. According to the simulation results, the different reflectivities correspond well with various x-values of O atom positions in BZNT pyrochlores.     

Ionothermal synthesis of a three-dimensional zinc phosphate with DFT topology using unstable deep-eutectic solvent as template-delivery agent

A three-dimensional zinc phosphate compound with DFT topology, designated as ZnPO₄-EU1, has been synthesized by an ionothermal approach from the system HF-ZnO–P₂O₅-choline chloride-imidazolidone. Ethylenediamine, derived from decomposition of the imidazolidone component of the deep-eutectic solvent (DES) itself, is delivered to the synthesis and serves as an appropriate template for ZnPO₄-EU1. Experiments in which the synthesis conditions were varied showed that ZnPO₄-EU1 may be prepared over a wide molar ratio of P/Zn = 0.55–13.0. Powder X-ray diffraction patterns have been obtained at intervals to track the crystallization process of this material. The experimental data show that Zn₃(PO₄)₂ · 4H₂O (a dense phase) was first isolated from the DES after reaction for 1 h. Subsequently, the pure phase of ZnPO₄-EU1 was obtained with increasing crystallization time from 12 h to 72 h. The experimental results show that the nucleation and crystallization take place with relatively low levels of solvent degradation, demonstrating that zinc phosphate with a three-dimensional framework can be synthesized by in situ generation of an appropriate template using an unstable DES at high temperatures (150–200 °C).     

Polyetherimide substrates for future high density optical data storage

Polyetherimide (PEI) substrate for next‐generation high density optical data storage is fabricated and characterized. Cover‐layer incident or first‐surface recording configurations do not require optical properties of the substrate, which are the prerequisite conditions for the conventional material of polycarbonate (PC). Instead of the optical properties, good mechanical properties with a sufficient transcribability are required. Even though PEI has higher glass transition temperature than that of PC, a microscopic transcribability of PEI is comparable with PC by laminating a thermal insulation layer on the backside of a stamper to retard the heat flow. A macroscopic warpage of PEI substrate is smaller than that of PC substrates, which reduces tilt and servo burden. The lowest critical speed coupled with the flutter of PEI substrate is larger than that of PC substrate because of the mechanical properties of PEI. POLYM. ENG. SCI., 48:97–101, 2008. © 2007 Society of Plastics Engineers     

国外尾矿坝安全与环境研究综述

安全与环境一直是国外尾矿坝研究的重点。笔者综述了自1990年以来国外涉及尾矿坝安全与环境方面有代表性的文献 ,内容包括尾矿坝溃坝、溃坝理论研究、安全管理、环境污染、污染监测、污染治理、污染理论研究及生态复垦 ,这些对提高我国尾矿坝管理、工程技术水平都有较好的参考价值     

井冈山水厂设计体会

阐述水厂设计中对水厂规模、水源地、净水厂位置及净水工艺的确定过程，根据原水的特点，通过分析对无阀滤池进行改良。     

Parallel, self-organizing, hierarchical neural networks. II

For pt.I see IEEE Trans. Neural Networks, vol.1, p.167-78 (1990). Parallel, self-organizing, hierarchical neural networks (PSHNNs) involve a number of stages with error detection at the end of each stage, i.e., rejection of error-causing vectors, which are then fed into the next stage after a nonlinear transformation. The stages operate in parallel during testing. Statistical properties and the mechanisms of vector rejection of the PSHNN are discussed in comparison to the maximum likelihood method and the backpropagation network. The PSHNN is highly fault tolerant and robust against errors in the weight values due to the adjustment of the error detection bounds to compensate errors in the weight values. These properties are exploited to develop architectures for programmable implementations in which the programmable parts are reduced to on-off or bipolar switching operations for bulk computations and attenuators for pointwise operations     

A time-domain approach to transmission network equivalents viaProny analysis for electromagnetic transients analysis

This paper presents a method of obtaining transmission network equivalents from the network's response to a pulse excitation signal. The proposed method is based on modal decomposition representation for the large-scale interconnected system. In this framework we use Prony analysis to identify the network function of the system and to decompose the large system into a parallel combination of simple first-order systems. As a result the network function of the transmission network can be identified easily, and a Thevenin-type of discrete-time filter model can be generated. It can reproduce the driving-point impedance characteristic of the network. Furthermore, the proposed model can be implemented into the EMTP in a direct manner. The simulation results with the full system representation and the developed equivalent system showed a good agreement