Crystallization of amorphous SiC and superhardness effect in TiN/SiC nanomultilayers

TiN/SiC nanomultilayers with various constituent layer thicknesses were prepared by magnetron sputtering using TiN and SiC ceramic targets. X-ray diffractometer, scanning electron microscope, energy dispersive spectrometer, high-resolution transmission electron microscope, atomic force microscope and nanoindenter were employed to study the growth, microstructure and mechanical properties of these films. Experimental results revealed that amorphous SiC, which is more favorable under normal sputtering conditions, was forced to crystallize and grew epitaxially with TiN layers at thicknesses of less than 0.8 nm. The resultant films were found to form strong columnar structures, accompanied with a remarkable hardness increment. Maximal nanoindentation hardness as high as 60.6 GPa was achieved when SiC thickness was ∼0.6 nm. A further increase of SiC thickness caused the formation of amorphous SiC, which blocked the epitaxial growth of the multilayers, resulting in the decline of film's hardness. Additionally, investigations on multilayers different in TiN layer thicknesses showed that they are insensitive in both microstructure and hardness to the fluctuation of TiN layer thickness. The formation of epitaxially grown structure between crystalline SiC and TiN layers was found to be responsible for the obtained superhardness in multilayers.     

刻蚀改变InGaN/AIGaN应变多量子阱发光特性

为了分析干法刻蚀对应变多量子阱(SMQWs)发光特性的影响,采用感应耦合等离子体(ICP)刻蚀技术对金属有机物化学气相沉积(MOCVD)生长的InGaN/AlGaN应变多量子阱覆盖层表面刻蚀了约95 nm.通过光致发光(PL)特性表征发现,干法刻蚀后量子阱光致发光强度较未刻蚀量子阱光致发光强度提高了近3倍.干法刻蚀后,量子阱表面呈现高低起伏状形貌,粗糙度提高,出射光在起伏状粗糙形貌表面反复散射,从而逃逸概率增大,有助于光致发光强度增强.理论计算结果得出表面形貌变化引起的量子阱光致发光强度增强因子约为1.3倍.另外,由于所采用的感应耦合等离子体功率较小,刻蚀损伤深度几乎不会达到量子阱阱层,然而干法刻蚀过程中Ar离子隧穿到量子阱阱层内部可能形成新的发光中心,从而使量子阱的发光强度得到提高.     

The optical properties of virtual bound state alloys

Optical data on dilute CuNi, AuNi and AgPd alloys are examined in terms of the Anderson model. The results for AuNi and AgPd appear to be consistent with the model while those for CuNi are not. A consistent interpretation of the data is obtained when the effects of the s-d hybridization of the copper conduction states on the Anderson mixing matrix element, V_kd, are considered. The results suggest a rapid increase in V_kd as the energy ?_k approaches the copper d bands.     

用粘性体力方法计算轴流叶轮机械内部流场

阐述了一种用于叶轮机械内部三维粘性流场计算程序。该程序以有限体积显式时间推进方法为基础,用Baldwin-Lomax模型模拟湍流流动,用局部时间步长和多重网格方法提高计算效率。使用上述方法计算了NASA 37^#跨音速压气机转子流场,并与实验结果进行了比较,从而证明文中提出的方法能够快速、准确地模拟轴流叶轮机械内部复杂三维流场,该方法具有较强的工程实用意义。     

Palladium-Catalyzed Cascade Reaction in Water to Imidazo[1,2-a]pyridazines as Switchable DSEgens,AIEgens, and ACQgens**

Dual-state emission (DSE) luminophores exhibit strong emissions in both solution and solid states, filling the gaps between aggregation-induced emissions (AIE) and aggregation-caused quenching (ACQ). However, limited design concepts and complicated synthetic strategies restrict the discovery of novel DSE molecules. Developing efficient and green methodologies to access novel DSE scaffolds via rational design remains highly desirable. In this work, we report a water-promoted Pd-catalyzed cascade reaction for the synthesis of multi-substituted imidazo[1,2-a]pyridazine derivatives with DSE properties. The intramolecular interactions of the neighboring benzene rings restrict molecular motion, leading to emissions in the solid state (quantum yield: 11 %), and the newly constructed core structure of imidazo[1,2-a]pyridazine ensures considerable planarity, allowing for emissions in solution. Further removal of the neighboring phenyl groups resulted in ACQgens, while additional methyl groups led to AIEgens. Subsequent live cell imaging investigations suggested that the novel DSEgens could serve as specific lipid droplet (LD) probes in a wide concentration range.     

Interstitial water and the formation of low barrier hydrogen bonds: A computational model study

The B3LYP/D95+(d,p) analysis of the uncharged low barrier hydrogen bond (LBHB) between 4‐methyl‐1H‐imidazole (Mim) and acetic acid (HAc) shows that uncharged LBHBs can be formed either by adding three water molecules around the cluster or by placing the Mim–HAc pair in a dielectric environment created by a polarizable continuum model with a permittivity larger than 20.7. The permittivity of environment around uncharged LBHB can be lowered significantly by including water molecules into the system. A Mim–HAc LBHB stabilized with one water molecule observed in diethyl ether (ε = 4.34), with two water molecules in toluene (ε = 2.38), and with three water molecules in vacuo (ε = 1). Solvation models with different numbers of water molecules predict average differences in the proton affinities of the hydrogen bonded bases (ΔPA) for stable uncharged LBHB systems in vacuo to be 91.5 kcal/mol being different from the ΔPA values close to zero in charge‐assisted LBHB systems. The results clearly indicate that small amounts of interstitial water molecules at the active site of enzymes do not preclude the existence of LBHBs in biological catalysis. Our results also show that interstitial water molecules provide a useful clue in the search for uncharged LBHBs in an enzymatic environment and the number of water molecules can be used as a relative measure for the polarity around the direct environment of LBHBs. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012     

Materials doping through sol–gel chemistry: a little something can make a big difference

Several examples of sol–gel preparation of doped materials are taken to illustrate the various situations where the doping elements are responsible for the main function of the material or govern its structure. Other examples are used to illustrate that sometimes unexpected effects can be observed like structural modification and the appearance of new properties. Rare earth doped scintillators demonstrate higher homogeneity for materials prepared via sol–gel chemistry when compared with classical solid state reaction. The XRD study of rare earth doped orthoborates shows that doping can affect the vaterite to calcite phase transition observed in these compounds. A Raman spectroscopic study has been performed on doped silica xerogels and it has been shown that doping ions can modify greatly the densification process in these amorphous materials. Finally, it has been evidenced that sol–gel chemistry allows the preparation of bioactive ceramics with enhanced properties. In particular Zn-doped HAP with anti inflammatory properties has been prepared and Sr-doped bioactive glasses have demonstrated superior in-vitro bioactivity as evidenced by PIXE-RBS study.