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.     

极限工况下的管网“互联互通”改进方案

在全国天然气管道“主干互联、区域成网”(以下简称“互联互通”)基础格局逐渐形成的背景下,天然气管网规模日益扩大、管道分支和气源增加,并且分布不集中、输送方向可变,使得输气方案更加灵活,可以更好地解决某些地域的供气紧张问题;但受现有站场和设备的限制,暂不能满足某些多线组合极限工况,使得“互联互通”的初衷难以全部实现。为了使得现有的各输气干线在实现“互联互通”之后可以满足更多的多线组合工况,在分析“互联互通”背景下M管网工况变化的基础上,研发了可以进行水力仿真和压气站方案制订的计算软件,并对3种极限工况下的不同输气量情况进行了可行性试算,进而基于试算结果提出了相应的管网改进建议。研究结果表明:(1)经验证,软件计算误差满足要求;(2)在M管道某处增设压气站或在某些输气站场配置压缩机组;(3) M管网改进调整后,可以完成大部分的多线组合极限工况,真正实现“互联互通”的输气方案。结论认为,该研究成果有助于推进全国天然气管网早日实现“互联互通”。     

100 MeV质子回旋加速器二期辐照效应管道设计

针对中国原子能科学研究院100 MeV质子回旋加速器上的单粒子效应辐照装置进行了二期管道设计，采用八极磁铁校正法对束流进行了扩束及均匀化，最终在靶上得到了一个30 cm×30 cm、均匀性好于92%的均匀分布的束斑，满足了单粒子效应实验的需求。为降低靶站处的束流能散及中子本底，采用两级降能的方案，在偏转磁铁前放置1个降能片，将能量分为100 MeV和40 MeV两档，并分别针对这两个能量点进行方案设计，束流利用率均在42%以上。公差分析结果表明，四极磁铁对靶上束斑均匀性的影响大于八极磁铁，安装过程中应优先保证四极磁铁的安装公差。     

B超扫描仪支架五联动滑块机构模具设计

结合B超扫描仪支架塑件的形状特点，通过合理地选择塑件的分型面，简化了塑件的整体结构设计及脱模机构设计。针对塑件上脱模需要的复杂性，设计了一种五滑块联动机构先实施内壁5个倒扣及内壁凹形部位内壁的脱模；而后通过2个斜导柱滑块机构来实施外壁的脱模及侧端的侧孔抽芯脱模，塑件最后由推管顶出来实施最终的完全脱模。配合于脱模机构的动作需要，模架选用三板式模架，模架第一次打开设置用于驱动五滑块联动机构的抽芯动作，第二次打开设置用于驱动外壁及侧端的斜导柱驱动侧滑块机构的抽芯动作。五滑块联动机构设计中，通过一个中央T形槽驱动块，驱动中间过渡滑块，从而通过燕尾槽联结来带动5个成型滑块做内收式抽芯运动，巧妙地解决了塑件上局部区域内设置多个抽芯机构设计空间不够的问题，保证了塑件的自动化注塑生产的可靠实现。     

Fabrication of Cu/graphite film/Cu sandwich composites with ultrahigh thermal conductivity for thermal management applications

Effective thermal management of electronic integrated devices with high powder density has become a serious issue, which requires materials with high thermal conductivity (TC). In order to solve the problem of weak bonding between graphite and Cu, a novel Cu/graphite film/Cu sandwich composite (Cu/GF/Cu composite) with ultrahigh TC was fabricated by electro-deposition. The micro-riveting structure was introduced to enhance the bonding strength between graphite film and deposited Cu layers by preparing a rectangular array of micro-holes on the graphite film before electro-deposition. TC and mechanical properties of the composites with different graphite volume fractions and current densities were investigated. The results showed that the TC enhancement generated by the micro-riveting structure for Cu/GF/Cu composites at low graphite content was more effective than that at high graphite content, and the strong texture orientation of deposited Cu resulted in high TC. Under the optimizing preparing condition, the highest in-plane TC reached 824.3 W·m⁻¹·K⁻¹, while the ultimate tensile strength of this composite was about four times higher than that of the graphite film.     

“聚龙一号”装置四层圆盘锥磁绝缘传输线的三维粒子模拟研究

介绍了"聚龙一号"中四层圆盘锥磁绝缘传输线(MITL)的基本理论。在CPIPIC平台上,采用非均匀网格和周期性对称边界条件,建立了"聚龙一号"的四层圆盘锥MITL的三维粒子模拟模型。设置相应的参数并用并行算法模拟得到了该器件中各层在绝缘堆上和MITL中间位置的电流和汇流后的电流,并与理论和实验数据进行相互对比验证。模拟结果表明整个器件在达到磁绝缘状态后具有很高的传输效率,并与实验结果相互验证,为以后进一步的研究提供了保证。     

Removal of imidacloprid and acetamiprid from tea infusions by microfiltration membrane

Removal of imidacloprid and acetamiprid in tea infusions by microfiltration membrane using dead‐end model was investigated in the present study. The results showed that microfiltration significantly promoted the removal of both pesticides (P < 0.05) in tea infusions. Furthermore, the extent of removal was strongly influenced by the pore size of membrane, operational pressure and the concentrations of tea infusions. The initial concentration of imidacloprid and acetamiprid showed no significant effect on their removal rates. The maximum removal rates were 79.7% for imidacloprid and 81.9% acetamiprid. The changes in major chemical components of tea infusions after microfiltration were evaluated. The results indicated that microfiltration caused no considerable changes in total polyphenols and total free amino acids, and small but statistically significant losses (6.3–18.0%) of eight catechins and three methylxanthines when filtration volume reached to 200 mL. The present study validated the application of microfiltration as a potentially feasible and promising method for the removal of imidacloprid and acetamiprid residues from tea infusions.     

冻融环境下CFRP-粘土砖抗剪性能试验研究

为研究冻融循环对CFRP与烧结粘土砖界面的影响,通过一种简单易行的单面剪切试验方法测定了冻融作用下粘贴了碳纤维布的粘土砖试件的应变值,得到荷载-滑移曲线,分析了冻融循环作用下CFRP与烧结粘土砖粘结性能的变化规律,建立了冻融循环作用下CFRP-粘土砖界面荷载滑移退化模型.通过对比分析,模型预测值与试验值吻合较好.     

响应面法优化艾叶挥发油的提取工艺及其抗氧化性能研究

以艾叶挥发油提取率为考核指标,采用单因素实验考察浸泡时间、料液比、提取时间等对艾叶挥发油提取率的影响,在此基础上,采用响应面法优化艾叶挥发油的共水蒸馏提取工艺,并通过紫外分光光度法测定艾叶挥发油对DPPH自由基的清除率来评价其抗氧化性能。结果表明,艾叶挥发油的最佳提取工艺条件为:浸泡时间1.5 h、料液比1∶10(g∶mL)、提取时间4.5 h,在此条件下,艾叶挥发油提取率最高,为0.83%。当艾叶挥发油浓度为80 mg·mL~(-1)时,DPPH自由基清除率最高,为39.12%。表明艾叶挥发油具有一定的抗氧化活性。