Macroscopic and Microscopic Structures of Cesium Lead Iodide Perovskite from Atomistic Simulations

A first‐principles‐based effective Hamiltonian is developed and employed to investigate finite‐temperature structural properties of a prototype of perovskite halides, that is CsPbI₃. Such simulations, when using first‐principles‐extracted coefficients, successfully reproduce the existence of an orthorhombic Pnma state and its iodine octahedral tilting angles around room temperature. However, they also yield a direct transformation from Pnma to cubic $Pm\overline{3}m$ upon heating, unlike measurements that reported the occurrence of an intermediate long‐range‐tilted tetragonal P4/mbm phase in‐between the orthorhombic and cubic phases. Such disagreement, which may cast some doubts about the extent to which first‐principle methods can be trusted to mimic hybrid perovskites, can be resolved by “only” changing one short‐range tilting parameter in the whole set of effective Hamiltonian coefficients. In such a case, some reasonable values of this specific parameter result in the predictions that i) the intermediate P4/mbm state originates from fluctuations over many different tilted states; and ii) the cubic $Pm\overline{3}m$ phase is highly locally distorted and develops strong transverse antiphase correlation between first‐nearest neighbor iodine octahedral tiltings, before undergoing a phase transition to P4/mbm under cooling.     

电力市场仿真和培训系统的设计及实现

介绍了电力市场仿真和培训系统（PMSTS）的设计及实现。该系统基于 Net Framework框架结构，建立在统一的底层数据库之上，采用模块化结构体系、可视化图形界面，由教员台（客户/服务器结构）、学员台（浏览器/服务器结构）2部分组成，可以仿真不同电力网络在不同市场交易规则下的运行过程，达到培训、指导电力市场参与者的目标，并且对电力市场机制的设计和评估具有重要的理论参考价值。立足于电力市场运作的仿真和培训，该系统可以检验电力市场决策方案的合理性和有效性，能够帮助广大电力系统专业的学生及专业人员理解、熟悉电力交易机制，掌握市场规律。通过IEEE 30节点系统的算例，验证了该系统的有效性和实用性。     

工艺空气压缩机组开车过程的思考

通过汽轮机组调速系统伺服马达不复位、主汽门不动作，反推出电磁阀控制线路接线错误，用人为短路压力开关等手段判断出组合油脱扣器活塞卡涩是造成现场延误开车的根本原因，提出完善大机组开车工作票制度、提高人员素质等措施。     

导流能力测试系统的研制

压裂后裂缝的导流能力直接关系着压裂缝的渗流能力，是客观评价压裂效果的重要指标之一。文章介绍了基于AT89C52单片机的导流能力测试系统的系统要求、测试原理以及其设计方案，阐述了各个测控通道，给出了测控系统电路方框图。     

独特的网络小应用程序－Java Applet

本文介绍了重要的Ｉｎｔｅｒｎｅｔ工具Ｊａｖａ语言及其独特的小应用程序－Ｊａｖａａｐｐｌｅｔ，阐述了ａｐｐｌｅｔ的基本概念和它给Ｉｎｔｅｒｎｅｔ网带来的巨大影响，描述了ａｐｐｌｅｔ的生命期，以及使用ＡＷＴ建立ａｐｐｌｅｔ的一系列方法和ａｐｐｌｅｔ的安全机制，展望了Ｊａｖａ新思想对今后Ｉｎｔｅｒｎｅｔ的推动。     

二-(4-羟基丁基)四甲基二硅氧烷的合成研究

采用一步法以二甲基二氯硅烷、四氢呋喃和金属镁粉为原料,在碘乙烷和单质碘催化下合成二-(4-羟基丁基)四甲基二硅氧烷。产物温合物减压过滤,以除去镁盐。滤液无需蒸馏提纯,而直接水解,干燥,减压蒸馏,收集71℃/1333Pa馏份。还探讨和优化合成条件:四氢呋喃与二甲基二氯硅烷之摩尔比应大于3.5;Grignard反应停止后应继续加热回流1小时;蒸馏时系统压力为1333Pa。     

Characterization of end‐functionalized styrene–butadiene–styrene copolymers and their application in modified asphalt

End amino, carboxylic acid, and hydroxyl functionalized styrene–butadiene–styrene (SBS) triblock copolymers were prepared with 1,5‐diazabicyclo[3.1.0]hexane, carbon dioxide, and epoxy ethane as capping agents, respectively. The effects of the end polar groups on the morphology and dynamic mechanical properties were investigated. Transmission electron microscopy images suggested that the group at the end of the polystyrene (PS) segment made the morphology of the PS domains disordered and incompact. Dynamic mechanical results showed that the storage and loss modulus increased after SBS was end‐functionalized. End amino and carboxylic acid groups improved the compatibility and storage stability of SBS‐modified asphalt. However, the effect of the end‐hydroxyl group on the improvement of the storage stability of SBS‐modified asphalt was not obvious. The differential scanning calorimetry analysis of SBS‐modified asphalt further showed that the compatibility and storage stability of SBS‐modified asphalt were improved by the attachment of amino or carboxylic acid groups through the anionic polymerization method. © 2006 Wiley Periodicals, Inc. J Appl Polym Sci 103: 8–16, 2007     

Hydrodynamics of gas-solid flow around immersed tubes in bubbling fluidized beds

A numerical study was conducted based on the gas-solid two-fluid model using the body-fitted coordinate system to analyze the behavior of particles and bubbles flow in bubbling fluidized beds without and with immersed tubes. The kinetic theory of granular flow was implemented in the model. The images of simulated instantaneous particle concentration and velocity gave the process of the formation, coalescence and eruption of bubbles. The effects of the tube pitch and superficial gas velocity on the fluidization in a bubbling fluidized bed were investigated. Calculated bubble frequencies without and with immersed tubes were in agreement with previous experimental and simulation findings. The wavelet multi-resolution analysis was used to analyze the simulated data of instantaneous particle concentration. From the random-like particle concentration fluctuations, the fluctuating components due to particle flow and bubble motion can be extracted based on the wavelet multi-resolution analysis over a time-frequency plane.     

子结构拟动力试验平台NetSLabOSR开发与试验应用

为推进拟动力试验方法的研究与应用,开发了子结构拟动力混合试验平台Net SLab OSR,可用于结构工程体系抗震性能的评估.Net SLab OSR试验平台包括3个模块:Control Ctr OSR,Tester和Control Eq DAQ.通过动态数据链接库开发的Active X控件方式实现各主模块与试验设备系统的连接,完成子结构拟动力试验试验数据之间的传递、转换.利用Net SLab OSR试验平台对子结构取倒V型防屈曲耗能支撑和钢管混凝土底柱的试验模型,进行子结构拟动力试验研究,试验结果验证了Net SLab OSR试验平台的可靠性和稳定性.