测量二次电子空间分布特征矩阵法的有效性分析

为了准确测量不同材料在实际环境中的二次电子空间分布，设计了一种新型的二次电子发射空间分布测量结构，给出了实验测量原理，用求解特征矩阵的方法对实验结果进行处理，得到了所需的二次电子空间分布。通过模拟计算对该测量方法进行了校验，模拟结果与假设二次电子空间分布函数相吻合，表明该测量方法可靠、测量精度高，为后续样机研制奠定了理论基础。     

Computational studies on the radiative and nonradiative processes of luminescent N-heteroleptic platinum(II) complexes

Three N-heteroleptic Pt(II) complexes, [Pt(C^C)(O^O)] [O^O = acetylacetonate, C^C = 1-phenyl-1,2,4-triazol-5-ylidene (1), C^C = 4-phenyl-1,2,4-triazol-5-ylidene (2), C^C = 2-phenylpyrazine (3)] have been investigated with density functional theory (DFT) and time-dependent density functional theory (TDDFT). The radiative decay rate constants of complexes 1–3 have been discussed with the oscillator strength (f_n), the strength of spin–orbit coupling (SOC) interaction between the lowest energy triplet excited state (T₁) and singlet excited states (S_n), and the energy gaps between E(T₁) and E(S_n). To illustrate the nonradiative decay processes, the transition states between triplet metal-centered (³MC) and T₁ states have been optimized and were verified with the calculations of vibrational frequencies and intrinsic reaction coordinate (IRC). In addition, the minimum energy crossing points (MECPs) between ³MC and ground states (S₀) were optimized. At last, the potential energy curves relevant to the nonradiative decay pathways are simulated. The results show that complex 3 has the biggest photoluminescence quantum yield because the complex 3 has the biggest radiative decay rate constant and the smallest nonradiative decay rate constant in complexes 1–3.     

SBBR反应器中耐冷微生物的驯化与识别

以模拟生活污水为处理对象，三种不同填料为生物膜载体，运行 A、B、C三个SBBR，通过逐步降温（25、20、15、10、6和5℃）培养驯化处理低温污水的生物膜。运行251周期，三个反应器COD出水浓度均低于50 mg/L；B反应器对氨氮去除效果优于A和C。特别在低温5℃时，A、B和C三个反应器氨氮平均出水浓度分别为14.1、3.79和14.1 mg/L。高通量测序结果显示，5℃时，三个反应器中均以降解有机物的微生物为主；只有B反应器中驯化富集出了嗜冷硝化菌（Candidatus Nitrotoga）；而其他有硝化作用的菌属在B反应器中的丰度也高于A和C反应器；不利于脱氮的类固氮菌（Elstera）在A和C反应器中丰度较高。此结果可从微生物角度解释三个反应器处理效果的差异性，表明B反应器处理低温污水有显著优势，其所用填料可结合低温菌进一步开发利用。     

某柴油机油底壳仿真计算分析

本文利用ABAQUS结构仿真软件对某发电用柴油机油底壳进行模态、强度计算。在发动机实际运行工况下,油底壳底部为悬空状态,模态计算结果显示油底壳一阶模态距发动机点火激励频率点较近,低于激励频率的1.2倍,模态不满足设计要求;在发动机装配过程中,油底壳底部压在装配台上,发动机在上下方向三倍的重力加速度冲击载荷工况下,油底壳产生的应力最大值低于对应材料的屈服强度极限,强度满足设计要求。通过对油底壳两种状态下的仿真分析,验证和确保了油底壳结构设计的可行性,有效避免了发动机装配和实际运行过程中故障的发生。     

Fabrication of tungsten oxide photoanode by doctor blade technique and investigation on its photocatalytic operation mechanism

WO₃ is a potential material candidate for construction of photoanode for solar driven water splitting. In this work, μm-thick porous WO₃ photoanode is prepared by depositing a stable ink made of WO₃ nanoparticles and Aristoflex velvet polymer in water using the doctor blade technique, followed by a sintering in air. The nature of WO₃ nanoparticles, its loading mass on F-doped tin oxide electrode as well as sintering temperature are examined in order to optimize the photocatalytic activity of the resultant WO₃ photoanode. The operation of WO₃ photoanode is investigated by varying the light illumination direction and light incident intensity as well as changing the nature of the electrolyte. Dissolved tungsten in electrolyte is quantified by ICP-MS providing insights into the influences of electrolyte nature and operating conditions to the corrosion of WO₃. It is proposed that the H₂O₂ and OH^. radical generated as by-products of the photo-driven water oxidation on the photoanode surface are harmful species that accelerate the dissolution of WO₃.     

Microstructural and electrical changes in Ca0.9R0.1CeNbMoO8 (R = Y,Sm, Nd,La) ceramics induced by rare-earth ion doping

Rare-earth ions doped Ca_0.9R_0.1CeNbMoO₈ (R = Y, Sm, Nd, La) ceramics have been successfully prepared by solid-state method, and their modifications to the microstructure and electrical properties are also investigated. The rare-earth ions doped ceramics exhibit the scheelite structure. With the increase in the radius of rare-earth ions, the lattice distortion and bond interaction will be enhanced, and the consistency of grain size will be reduced. The ceramics exhibit negative temperature coefficient (NTC) thermistor characteristics in the temperature range of 473 K-1273 K, and the activation energy decreases with the increase of the radius of rare-earth ions. Rare-earth ions doping can increase the content of Ce³⁺ ions and promote the conductivity of ceramics. Except for Sm³⁺-doped ceramics, the high-temperature aging rate of other ceramics is less than 2%. The existence of some metastable Sm²⁺ ions in Sm³⁺-doped ceramics not only increases the activation energy, but also reduces the high-temperature stability of the ceramics.     

Flame characteristics of premixed H2-air mixtures explosion venting in a spherical container through a duct

The explosion venting duct can effectively reduce the hazard degree of a gas explosion and conduct the venting energy to the safe area. To investigate the flame quantitative propagation law of explosion venting with a duct, the effects of hydrogen fraction and explosion venting duct length on jet flame propagation characteristics of premixed H₂-air mixtures were analyzed through experiment and simulation. The experiment results under initial conditions of room temperature and 1 atm show that when hydrogen fraction was high enough, part of the unburned hydrogen was mixed with air again to reach an ignitable concentration, resulting in the secondary combustion was easier produced and the duration of the secondary flame increased. With the increase of venting duct length, the flame front distance and propagation velocity increased. Meanwhile, the spatial distribution of pressure field and temperature field, and the propagation process and mechanism of the flame venting with a duct were analyzed using FLUENT software. The variation of the pressure wave and the pressure reflection oscillation law in the explosion venting duct was captured. Therefore, in the industrial explosion venting design with a duct, the hazard caused by the coupling of venting pressure and venting flame under different fractions should be considered comprehensively.     

Energy storage performance of 0.55Bi0.5Na0.5TiO3-0.45SrTiO3 ceramics doped with lanthanide elements (Ln = La,Nd, Dy,Sm) using a viscous polymer processing route

Lead-free bismuth sodium titanate-strontium titanate (NBT-ST) dielectric ceramic materials have been extensively investigated energy storage materials because of their relaxor characteristics. In this study, four different lanthanide elements were introduced into the ferroelectric NBT-ST ceramic to improve their relaxor properties. The introduction of the lanthanide resulted in an increase in disorder at location A within the perovskite lattice and improved relaxor characteristics, leading to a stored energy density of more than 3.5 J/cm³. In particular, an ultrahigh recoverable stored energy density of 4.94 J/cm³ and efficiency of 88.45% were achieved at 440 kV/cm when the NBT-ST ceramic was modified with neodymium. The modified ceramic also exhibited good thermal stability in the range of 30–120 °C, as well as a fast discharge time of ～153 ns, indicating that Nd-incorporated NBT-ST is a promising candidate for electrical energy storage ceramic.     

弱相互作用调控表面活性剂自组装(Ⅱ)——表面活性剂的结构与设计

介绍了表面活性剂的结构、性质以及分类,综述了阴离子表面活性剂、阳离子表面活性剂、两性离子表面活性剂、非离子表面活性剂的分子间弱相互作用。另外,简述了低聚型表面活性剂和其他新型表面活性剂的结构及应用。