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     

HSDPA部署策略及覆盖、容量规划

本文介绍了HSDPA的发展背景,针对HSDPA的主要技术特点,依据市场发展规划、用户需求等方面对HSDPA部署进行探讨,并对HSDPA的覆盖与容量方面进行规划分析.     

上半年石油工业经营情况及下半年走势预测

今年上半年我国石油工业基本保持平稳、健康的发展格局:油气产量和消费需求均持续增长,油气开采业大幅盈利,原油加工业仍然亏损,投资大幅度增长,原油进口依存度加大。下半年需要采取的应对措施是:进一步完善成品油价格形成机制;规范和引导上海石油交易所健康运行;加强天然气管理,作好需求预测;实施石油替代激励政策。预计下半年国际油价继续走高的可能性较大;我国全年石油表观消费可能会突破3亿吨,进口依存度继续在40%以上。     

陶艺的文化性与功能

中国古陶艺制品造型,釉色,装饰等艺术符号都与每时期的阶段性精神和物质生活相联系,但在"现代艺术"文化认识领域中,往往从理论思维角度把陶艺实用目的的物质性排斥在文化范畴之外。艺术常常强调物质的观赏性,而陶艺的实用功能就是这种文化类型的主体,陶艺的文化性和功能性,具有实用和审美文化的高度叠合,永久地承载着实用功能和精神功能两大内容。     

激电法找油的原理及应用

激电法是非地震物探手段中的一种，由于油气在向上渗透的过程中会与地层发生一系列的生物。化学反应而形成次生黄铁矿，激电法正是通过发现油气藏上方形成的次生黄铁矿晕来寻找油气的一种间接找油方法。通过详细介绍激电法寻找油气的基本原理。仪器设备等，从实践角度论述了激电法在油田勘探开发中的应用范围及其特点，最后通过兴例说明了其良好的应用效果。     

从小城镇的发展现实探讨其规划思路——由天津市中心镇规划引发的思考

结合小城镇发展的现实情况,介绍了小城镇规划与发展关联的不足,并对小城镇的规划要点进行了探讨,以期在小城镇规划的理论与实践建设中抛砖引玉。