Theoretical investigation of intrinsic point defects and the oxygen migration behavior in rare earth hafnates

In this work, the composition-dependent point defect types and formation energies of RE₂Hf₂O₇ (RE = La, Ce, Pr, Nd, Pm, Sm, Eu and Gd) as well as the oxygen diffusion behavior are systematically investigated by first-principles calculations. The possible defect reactions and dominant defect complexes under stoichiometric and non-stoichiometric conditions are revealed. It is found that O Frenkel pairs are the predominant defect in stoichiometric pyrochlore hafnates. Hf-RE cation anti-site defects, accompanied by RE vacancies and/or oxygen interstitials, are stable in the non-stoichiometric case of HfO₂ excess. On the other hand, RE-Hf anti-site defects together with oxygen vacancies and/or RE interstitials are preferable in the case of RE₂O₃ excess. The energy barriers for the migration along the V_O48f - V_O48f pathway of pyrochlore hafnates were calculated to be between 0.81 eV and 0.89 eV. Based on these results, a defect engineering strategy is proposed and the pyrochlore hafnates investigated here are predicted to exhibit potential oxygen ionic conductivity.     

Deposition of UF5 on the surface of steel material having oxide coating in contact with gaseous UF6

When UF6 is handled in leak tight system, the amount of uranium compound formed on the surface of containers, valves, and others in UF6 handling facilities is not so significant for a short term that special attention has not been given to this problem. The present work was done to throw some more light on this problem based on the recent experiment. We discuss the possibility that the intermolecular transfer of a fluorine atom from UF6 to UF5 may participate in the formation of uranium compound. The discussion includes also the unique features contained in the experimental result, the reaction processes assumed in this problem, and the derivation of a rate equation for expressing the deposition of uranium compound. Furthermore, we propose a new method for determining nonlinear parameters included in a governing differential equation having two variables for expressing the deposition of uranium compound from experimental raw data.     

Single-Crystalline TiO2(B) Nanobelts with Unusual Large Exposed {100} Facets and Enhanced Li-Storage Capacity

The {100} facet of single-crystalline TiO₂(B) is an ideal platform for inserting Li ions, but it is hard to be obtained due to its high surface energy. Here, the single-crystalline TiO₂(B) nanobelts from H₂Ti₃O₇ with nearly 70% {100} facets exposed are synthesized, which significantly enhances Li-storage capacity. The first-principle calculations demonstrate an ab in-plane 2D diffusion through the exposed {100} facets. As a consequence, the nanobelts can significantly accommodate Li ions in LiTiO₂ formula with specific capacity up to 335 mAh g⁻¹, which is in good agreement with the electrochemical characterizations. Coating with conductive and protective poly(3,4-ethylenedioxythiophene)-poly(styrenesulfonate), the cut-off discharge voltage is as low as 0.5 V, leading to a capacity of 160.7 mAh g⁻¹ after 1500 cycles with a retention rate of 66% at 1C. This work provides a practical strategy to increase the Li-ion capacity and cycle stability by tailoring the crystal orientation and nanostructures.     

某污水处理厂MBR膜系统改造与运行管理

某污水处理厂设计规模为10万t/d,采用AAO+MBR工艺,设计出水水质满足《城镇污水处理厂污染物排放标准》(GB 18918-2002)一级A标准。由于运行时间较长,MBR运行系统存在产能下降、膜丝断丝脱落、污堵和清洗频次以及强度增加等问题,严重影响正常生产运行。针对MBR系统运行中存在的问题,文中提出具体改造建议,并总结运行经验,进一步优化MBR膜系统的运行维护管理,为其他污水厂MBR膜系统运行问题提供解决思路和维护管理经验。     

二滩拱坝初次蓄水的变位监测反分析

简要介绍了在二滩拱坝1998年5月初次蓄水期,通过拱坝垂线和监测网系统,用统计模型和确定性模型理论分析方法,建立了施加于坝体各作用量与坝体受作用后的效应量(变位)间的数学关系;并根据预先计算分析成果,提出了在初次蓄水运行中拱坝变位的参考预报值,实时对二滩拱坝实际工作状态作出安全评判。     

三维最短路径法射线追踪及改进

射线追踪技术在地震学领域有着广泛的应用，其中以最短路径算法在复杂介质中走时计算稳定性最好。理论上最短路径法的误差来源为速度模型采样误差、空间离散化误差和角度离散化的误差，由此造成网格稀疏时射线路径呈之字形，计算走时比实际走时偏大。弯曲法追踪精度高，但是射线追踪速度受初始路径与真实射线路径逼近程度制约，在复杂介质中可能找不到全局最小走时路径。最短路径法追踪出来的网格射线路径，可以作为较理想的初始路径，供弯曲法迭代优化。将最短路径法和弯曲法结合，通过射线在初始路径附近的扰动得到Fermat原理约束下的最短路径。文章对常速模型的试算，显示了改进方法对射线路径优化的作用，在模型网格稀疏的情况下效果尤其明显。本算法适用于计算三维任意复杂介质中初至波走时和射线路径，可应用于三维走时层析成像等领域。     

"通信原理"课程教学改革探索

针对我院省重点专业“电子信息工程”的必修主干专业基础课程。“通信原理”教学中存在的不利于培养和提高学生分析问题、解决问题的能力的因素，从课程的教学内容、教学手段等方面论述了课程改革的基本构想，并对课程的实践环节——设计性实验的改革进行了探讨。     

底部两层框架-抗震墙砖房抗震能力的分析方法与设计控制

提出了底部两层框架 -抗震墙砖房框剪层和砖混层的极限受剪承载力、侧移刚度、极限剪力系数计算公式 ,并基于设置不同数量抗震墙的底部两层框架 -抗震墙砖房的实例计算和弹塑性时程分析 ,给出了结构砖混过渡层与相邻框剪层的极限剪力系数比和侧移刚度比的合理取值及薄弱楼层位置判别和破坏状态评定的方法和原则。     

等偏移距自动初至静校正

茅金根 ,梁秀文 ,杨午阳 ,冯有奎 .等偏移距自动初至静校正 .石油地球物理勘探 ,2 0 0 2 ,37(5 ) :4 6 9～ 4 72　　本文提出一种自动计算静校正量的新方法。它首先在等偏移距道集内对相邻道的初至波采用高精度相关构建一个关于炮、检时差的超大矩阵方程 ,然后采用优化统计迭代算法求解炮点和检波点的静校正量 ,并用概率分布函数确定精确的炮、检静校正量 ,最后用误差校正函数消除炮、检静校正误差。实际资料处理结果表明 ,本方法自动、省时、精度高。