基于模式理论光栅椭偏参数反演的数值模拟

将一种广泛用于求解系统优化问题的方法——正单纯形法，求解光栅的椭偏方程。首先，利用求解光栅的傅立叶模式理论对TE和TM波的复反射系数进行求解。然后计算出其相应的椭偏参数(△，Ψ)，并在该值的基础上加入不同偏差的随机高斯噪声，将加入噪声后的值(△m，Ψm)作为模拟测量值。最后使用优化算法进行反演。通过对几种常用面形光栅椭偏参数的数值模拟，一方面表明傅立叶模式理论计算光栅的椭偏参数不仅精度高。而且速度快；另一方面表明利用正单纯形法得到的光栅参数值很接近于正演时假设的参数值，从而从理论上证明了利用椭偏法测量光栅各种光学参数的可行性。     

曲面零件拉深筋结构参数的优化

以曲面零件悬空区上径向最大拖动阻力为优化的目标函数，在模具几何约束、压筋时不诱发外皱、完全包筋等条件下，建立了拉深筋结构参数优化的数学模型。对拉深筋的高度H、圆角半径Rn、位置半径Rj、凹槽入口圆角半径rd等参数进行了优化，从而为合理选择拉深筋的参数提供了依据。文中还以实例进行了示算。     

单组分聚脲材料在寒冷地区某大坝溢流面防护中的应用

水利水电工程泄洪建筑物表面经常遭受高速含沙水流或携带推移质的冲刷,经过一段时间的运行,往往会出现不同程度的磨损及气蚀破坏,采用性能优越的水工混凝土抗冲耐磨材料修复和防护尤为重要。本文通过单组分聚脲材料性能试验揭示了材料的特点,介绍了其在新疆某大坝溢流面防护中的应用情况,其处理技术对类似工程具有良好的借鉴意义。     

Effect of alkali and alkaline earth metals on nitrogen release during temperature programmed pyrolysis of coal

Formation of HCN, NH₃, and N₂ during fixed-bed pyrolysis at 10K min⁻¹ has been studied using coal samples after partial demineralization followed by addition of metal hydroxides from aqueous systems. Without additives, NH₃ is the predominant product at ≤ 700°C, showing the two peaks in the formation rate profile, whereas N₂ is the only product at ≥ 800°C. The presence of NaOH, KOH and Ca(OH)₂ promotes considerable NH₃ formation between 450 and 600°C, but in contrast suppresses HCN formation in this region. The Ca shows the largest effect on both the promotion and suppression. It is likely that the NH₃ increased by Ca addition arises partly from HCN, but mainly from secondary reactions of tar-N. These hydroxides affect N₂ formation in quite different manners: the Na decreases the rate between 700 and 950°C, and the K changes it less significantly than the Na, but the Ca remarkably increases the rate in a low temperature region of 550–700°C. These different features are discussed in terms of solid-phase reactions of alkali metal carbonates with char-N and secondary decomposition reactions of tar-N on CaO particles. As a result, total conversion of coal-N to HCN, NH₃ and N₂ up to 1000°C increases in the sequence of Na < none < K < Ca.     

Preparation and characterization of multi-walled carbon nanotubes supported PtRu catalysts for proton exchange membrane fuel cells

A series of PtRu nanocomposites supported on H₂O₂-oxidized multi-walled carbon nanotubes (MWCNTs) were synthesized via two chemical reduction methods—one used aqueous formaldehyde (HCHO method) and the other used ethylene glycol (EG method) as the reducing agents. The effects of the solvents (water and ethylene glycol) and the surface composition of the MWCNTs on the deposition and the dispersion of the metal particles were investigated using N₂ adsorption, TEM, ICP-AES, FTIR and TPD. The wetting heats of the MWCNTs in corresponding solvents were also measured. The characterizations suggest that combination of the surface chemistry of the MWCNTs with the solvents decides the deposition and the dispersion of the metal nanoparticles. These nanocomposites were evaluated as proton exchange membrane fuel cell anode catalysts for oxidation of 50 ppm CO contaminated hydrogen and compared with a commercial PtRu/C catalyst. The data reveal superior performances for the nanocomposites prepared by the EG method to those by the HCHO method and even to that for the commercial analogue. Structure–performance relationship of the nanocomposites was also studied.     

Demineralization of a UK bituminous coal using HF and ferric ions

A UK bituminous coal has been used to study demineralization by two-stage chemical leaching. The first-stage uses hydrofluoric acid (HF) at 65 °C and reduces the ash content from 5.30 wt% to 1.37 wt% by mainly removing Al and Si containing minerals. Subsequent leaching by ferric ions decreases the ash content further to 990 ppm by removing most of the pyrite and fluorides formed during the HF leaching. Calorific value of the coal shows no change following leaching, which suggests no oxidation is occurring to the coal carbonaceous matrix. The mercury and sulfur contents after the two-stage leaching sequence decrease by 40% and 26%, respectively.     

基于正交试验、BP神经网络和遗传算法的冷挤压模具优化设计方法

以桑塔纳L45449汽车轮毂轴承内圈为例,建立汽车轮毂轴承内圈冷挤压模具简化模型,运用Deform-3D软件对零件成形过程进行仿真,对挤压过程中的行程载荷和模具磨损进行分析,并据此给出模具优化设计约束条件和优化目标,提出了一套结合正交实验法、BP人工神经网络和遗传算法的模具优化设计方法,对冷挤压汽车轮毂轴承内圈模具进行优化,并对优化结果进行有限元验证.结果表明:优化结果与仿真分析结果相近,最大行程载荷相对误差为4.55%,凹模磨损量绝对误差为0.06μm,提出的优化设计方法能有效缩短模具设计周期,降低模具制造成本.     

Passivating Defects of Perovskite Solar Cells with Functional Donor-Acceptor–Donor Type Hole Transporting Materials

In this study, a series of donor–acceptor–donor (D-A-D) type small molecules based on the fluorene and diphenylethenyl enamine units, which are distinguished by different acceptors, as holetransporting materials (HTMs) for perovskite solar cells is presented. The incorporation of the malononitrile acceptor units is found to be beneficial for not only carrier transportation but also defects passivation via Pb–N interactions. The highest power conversion efficiency of over 22% is achieved on cells based on V1359, which is higher than that of spiro-OMeTAD under identical conditions. This st shows that HTMs prepared via simplified synthetic routes are not only a low-cost alternative to spiro-OMeTAD but also outperform in efficiency and stability state-of-art materials obtained via expensive cross-coupling methods.