Bases,solvates and salts: new benzimidazole‐ and pyridine‐scaffolded ligands

The intermolecular interactions in the structures of a series of Schiff base ligands have been thoroughly studied. These ligands can be obtained in different forms, namely, as the free base 2‐[(2E)‐2‐(1H‐imidazol‐4‐ylmethylidene)‐1‐methylhydrazinyl]pyridine, C₁₀H₁₁N₅, 1 , the hydrates 2‐[(2E)‐2‐(1H‐imidazol‐2‐ylmethylidene)‐1‐methylhydrazinyl]‐1H‐benzimidazole monohydrate, C₁₂H₁₂N₆·H₂O, 2 , and 2‐{(2E)‐1‐methyl‐2‐[(1‐methyl‐1H‐imidazol‐2‐yl)methylidene]hydrazinyl}‐1H‐benzimidazole 1.25‐hydrate, C₁₃H₁₄N₆·1.25H₂O, 3 , the monocationic hydrate 5‐{(1E)‐[2‐(1H‐1,3‐benzodiazol‐2‐yl)‐2‐methylhydrazinylidene]methyl}‐1H‐imidazol‐3‐ium trifluoromethanesulfonate monohydrate, C₁₂H₁₃N₆⁺·CF₃O₃S^?·H₂O, 5 , and the dicationic 2‐{(2E)‐1‐methyl‐2‐[(1H‐imidazol‐3‐ium‐2‐yl)methylidene]hydrazinyl}pyridinium bis(trifluoromethanesulfonate), C₁₀H₁₃N₅²⁺·2CF₃O₃S^?, 6 . The connection between the forms and the preferred intermolecular interactions is described and further studied by means of the calculation of the interaction energies between the neutral and charged components of the crystal structures. These studies show that, in general, the most important contribution to the stabilization energy of the crystal is provided by π–π interactions, especially between charged ligands, while the details of the crystal architecture are influenced by directional interactions, especially relatively strong hydrogen bonds. In one of the structures, a very interesting example of the nontypical F…O interaction was found and its length, 2.859 (2) Å, is one of the shortest ever reported.     

Contact vibration analysis of the functionally graded material coated half-space under a rigid spherical punch

This paper studies the contact vibration problem of an elastic half-space coated with functionally graded materials (FGMs) subject to a rigid spherical punch. A static force superimposing a dynamic time-harmonic force acts on the rigid spherical punch. Firstly, we give the static contact problem of FGMs by a least-square fitting approach. Next, the dynamic contact pressure is solved by employing the perturbation method. Lastly, the dynamic contact stiffness with different dynamic contact displacement conditions is derived for the FGM coated half-space. The effects of the gradient index, coating thickness, internal friction, and punch radius on the dynamic contact stiffness factor are discussed in detail.     

基于离散元的杆件断裂全过程数值模拟

杆件的断裂会涉及到大变形、非线性以及不连续等问题,通常的数值计算方法模拟这种复杂力学行为具有局限性。本文基于颗粒离散元法DEM,将接触粘结处的分布式弹簧用梁纤维进行等效,提出了一种适于结构弹塑性分析的DEM纤维梁模型,然后在此基础上构建了构件断裂模拟算法以及纤维破环准则。将该模型应用于悬臂梁结构,模拟了悬臂梁从弹性到弹塑性阶段,再到断裂破坏的全过程,数值模拟得到的结构响应和截面开裂破坏形态均较合理。最后将该方法应用于单层网壳倒塌破坏模拟,并与网壳振动台倒塌试验进行对比,结果表明,数值模拟得到的杆件断裂过程及结构倒塌模式与试验现象一致,验证了该模型的正确性和适用性。     

盘式制动器摩擦界面接触压力分布研究

在考虑具有可变效应的移动热源影响、制动盘与片的弹性影响以及界面摩擦热流影响等的耦合作用下,建立了一个三维瞬态盘式制动器热-结构耦合模型,利用大型有限元软件ANSYS的非线性多场耦合分析方法,分别数值模拟了不同状态下的制动器摩擦接触界面上的压力场分布情况.发现制动接触压力并非均匀分布,而是与制动盘和片的变形、摩擦力以及摩擦热-结构耦合有关.     

Analysis of Vicinal Water in Soft Contact Lenses Using a Combination of Infrared Absorption Spectroscopy and Multivariate Curve Resolution

In this paper, we propose a new spectroscopic method to explore the behavior of molecules near polymeric molecular networks of water-containing soft materials such as hydrogels. We demonstrate the analysis of hydrogen bonding states of water in the vicinity of hydrogels (soft contact lenses). In this method, we apply force to hydrated contact lenses to deform them and to modulate the ratio between the signals from bulk and vicinal regions. We then collect spectra at different forces. Finally, we extracted the spectra of the vicinal region using the multivariate curve resolution-alternating least square (MCR-ALS) method. We report the hydration states depending on the chemical structures of hydrogels constituting the contact lenses.     

GaN基紫光LED的高反射率p型欧姆接触

研究用于GaN基大功率倒装焊(Flip-chip)紫光LED(UV-LED)的高反射率p型欧姆接触的电学和光学性能。用磁控溅射的方法在GaN基LED外延片表面沉积了不同厚度Ag,Al,Au和Pd四种金属,测量了样品的反射率和透射率。结合同步辐射高强度X射线衍射和AFM对金属薄膜的晶体结构进行分析,并对表面形貌进行了观测,对由金属薄膜构成的多层膜结构及其对光反射率的作用机理进行了研究。测量结果表明,在入射光波长为400nm时,Ni/Au/Ag和Ni/Au/Al电极的反射率比Ni/Au的反射率提高了三倍。同时与p-GaN有良好的欧姆接触特性。     

高反射率p-GaN欧姆接触电极

根据光学薄膜原理计算了GaN/Ti/Ag、GaN/Al和GaN/Ni/Au/Ti/Ag、GaN/Ni/Au/Al多层电极结构的反射率,得出Ag基和Al基反射电极均能在全角范围内提供较高的反射率。实验测量结果表明,反射率能高于80%的Ag基反射电极,具有低欧姆接触的电学特性。并将GaN/Ni/Au/Ti/Ag多层反射电极应用在上下电极结构的GaN基LED中。实验上采用两步合金法获得了低接触电阻、高反射率的电极结构,并引入Ni/Au覆盖层克服了Ag高温时的团聚和氧化现象。解决了Ag电极的稳定性问题,显著地提高了LED的出光效率,成功制备了具有上下电极结构的GaN基LED管芯。     

白云石制备似立方体状方解石型碳酸钙晶体及其机理研究

以轻烧白云石粉、氯化铵和二氧化碳为原料,在未使用晶型控制剂的情况下,通过蒸氨-沉钙过程制备出了似立方体状碳酸钙。研究了反应温度、溶液中钙离子浓度、通气速率、搅拌速度以及陈化时间对碳酸钙中方解石相含量以及晶体形貌的影响,并探索了沉钙反应的晶型控制机理。结果表明,在反应温度40 ℃、钙离子浓度0.05 mol/L、通碳速率100 mL/min、搅拌速度400 r/min和陈化时间2 h的条件下,制备出形貌规整、粒径分布均匀的似立方体状碳酸钙,平均粒径为5~10 μm。该研究为提升白云石的使用价值、生产高附加价值的碳酸钙产品,以及提高白云石资源的利用率提供理论基础。     

基于三维接触有限元分析的管片等效抗弯刚度和错台研究

针对盾构隧道管片接头等效抗弯刚度预测研究中,对梁-弹簧与三维模型整体等效性考虑的不充分,以三维接触有限元计算结果作为测量信息,借助基于挠度等效的反问题求解,提出了一种确定管片接头等效抗弯刚度的新方法;并利用不同轴力-偏心距组合下的反演结果,建立了基于Kriging代理模型的轴力-弯矩-等效抗弯刚度的非线性关系,提出了由此关联的管片结构非线性问题的数值求解方法。与三维有限元结果相比,所提方法可较为准确地预测管片结构的内力和变形,表现出良好的整体等效性。此外,借助三维接触有限元分析,进一步深入探讨了螺栓孔间隙与衬垫本构关系对管片纵向错台量的影响。     

苯乙烯/甲基丙烯酸和苯乙烯/甲基丙烯酸(β-羟丙酯)嵌段共聚物的表面动态行为

通过测定表面动态接触角研究了两亲性的苯乙烯／甲基丙烯酸嵌段共聚物（ＰＳ ｂ ＰＭＡＡ）和苯乙烯／甲基丙烯酸（β 羟丙酯）嵌段共聚物（ＰＳ ｂ ＰＨＰＭＡ）的表面动态行为及温度、嵌段长度比等因素对其值的影响,讨论了聚合物表面当接触介质改变时链段或基团的再取向行为和表面性质