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.     

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.     

浅析高校新校区选址主要影响因素

从政策、城市与区域规划、环境、文化及其传承因素、基础设施等方面探析了高校新校区选址有关的主要影响因素，以满足高等学校大规模的扩建要求，促进高等教育的发展。     

洪家渡水电站工程高边坡综述

乌江洪家渡水电站坝址河谷深切300余m,硬质岩与软质岩相间分布,岸坡地形陡峻,软弱夹层发育,卸荷、崩塌等物理地质作用强烈。根据坝址地质条件与电站枢纽布置,工程存在:隧洞群进水口同向高边坡整体稳定问题;坝肩开挖、隧洞进出口开挖、厂房开挖及料场开挖等高边坡稳定问题;泄洪冲刷及雾化区1号、2号塌滑体高边坡稳定问题;王家渡堆料场、瓦房寨砂石系统高边坡稳定问题。因此,工程高边坡稳定问题是本工程的主要工程问题之一,但通过参建各方共同努力,本工程高边坡处理都取得了圆满成功。     

"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。     

液压集成块校核软件的编制和应用

本文叙述了液压集成块校核软件的编制思想和方法，并重点介绍了编制过程中所使用的相关技术，同时给出部分源程序。     

儒家伦理价值及其评价

对儒家伦理的基本价值与基本特点以及局限性进行了疏理和分析，对于国内外学者对儒家伦理的肯定性评价和提出的有关儒学研究的理论方法作出了评介，在此基础上提出了研究儒家伦理的几点认识和启示．     

最值求解技巧:巧变四数

在用基本不等式求最值时,大家都熟悉一个口诀:"一正二定三相等",但是有许多学生在怎样保证定值和相等时不知道该如何变形.为了解决学生的困难和困惑,我根据自己的经验,概括为两句口诀:"一正二定三相等,巧变四数定乾坤".     

The Structure of Clusters and Jets of Pulsed Plasma Expanding into Vacuum

The space-time distribution of the basic kinetic parameters of a plasma is experimentally determined under conditions of expansion of plasma clusters and jets into vacuum. It is demonstrated that the dynamics and structure of plasmoids injected by pulsed erosion plasma accelerators of the electrothermal type are characterized by two successive stages or two modes of acceleration, namely, the Joule heating of electrons in the initial region of the path and the collisionless expansion of rarefied plasma.     

浅谈炼钢车间的自动控制系统

介绍了天津钢铁工业结构调整改造后的新钢铁企业炼钢车间的自动控制系统，系统的配置、主要功能，并对系统做出评价。