氢原子在Ru(0001)和Ru(1010)面上吸附扩散势能面的结构

本文构造了H-Ru相互作用的五参数Morse势,用经典的对势方法研究了氢原子在Ru(0001)和Ru(1010)面上的吸附和扩散,得到了氢原子在两个表面上的吸附位、吸附几何、结合能及本征振动等数据与实验结果符合得很好;同时研究了两个体系的吸附扩散势能面结构。     

二氧化硅悬浮体和水解聚丙烯酰胺体系的流变性

研究了二氧化硅悬浮体的流变性。在固体含量较少的情况下, 体系呈Newton型;固体含量达到一定程度以后, 产生三维结构, 为假塑性体系。三维结构的固体含量与pH值有关。实验证实, 在等电点(i,e, p)附近三维结构最为疏松。还研究了水解聚丙烯酰胺(HPAM)对悬浮体流变性能的影响。HPAM破坏了二氧化硅粒子聚集体结构, 呈絮凝体结构, 并出现触变性。当高聚物在固体表面覆盖一半时, 具有最大触变性和动剪切力。HPAM的水解度达到一定程度, 由于对固体粒子由“强”吸附转变为“弱”吸附, 固体粒子“屏蔽”了高分子间的相互作用, 出现了负触变性现象。在流动时粒子会脱附, 静止以后又产生吸附, 这种吸附与脱附是产生负触变性的主要原因。HPAM水解过度或用量过多, 均会减弱负触变性现象。     

Comparison between a thin matrix decomposition method and the rigorous coupled wave theory applied to volume diffraction gratings

Diffraction gratings have been an interesting field during the last decades. A great deal of research has been done in order to understand how light propagates inside diffraction gratings. Since its formulation, the Rigorous Coupled Wave Theory (RCWT) has been applied to different periodic structures providing a basis to check the validity of approximate theories, such as Kogelnik's coupled wave theory or the coupled wave theory neglecting second derivatives. In this work we will compare the results of the diffraction efficiencies of the first and second orders at second on-Bragg replay angular condition, obtained by using an analytical formula provided by Alferness using an approximate thin-matrix decomposition method (TMDM) with the results obtained by using the RCWT. Good agreement between the results obtained using TMDM and the RCWT were found.     

Approximate solutions of a nonlinear oscillator typified as a mass attached to a stretched elastic wire by the homotopy perturbation method

The homotopy perturbation method is used to solve the nonlinear differential equation that governs the nonlinear oscillations of a system typified as a mass attached to a stretched elastic wire. The restoring force for this oscillator has an irrational term with a parameter λ that characterizes the system (0 ? λ ? 1). For λ = 1 and small values of x, the restoring force does not have a dominant term proportional to x. We find this perturbation method works very well for the whole range of parameters involved, and excellent agreement of the approximate frequencies and periodic solutions with the exact ones has been demonstrated and discussed. Only one iteration leads to high accuracy of the solutions and the maximal relative error for the approximate frequency is less than 2.2% for small and large values of oscillation amplitude. This error corresponds to λ = 1, while for λ < 1 the relative error is much lower. For example, its value is as low as 0.062% for λ = 0.5.     

旋转回归分析在提高作物产量中的应用

本文根据旋转回归正交试验,深入研究探讨了不同肥量、密度条件下对小麦产量的影响。创建了小麦产量与种植密度、施肥量之间的回归模型。通过检验,肯定了模型的可靠性和应用的有效性。为农业生产起到了很好的指导作用。     

H-transfer rates in ion-neutral complexes versus those in intact aliphatic ions

The relative rates of H-transfer between partners in ion-neutral complexes were compared with those in intramolecular rearrangements using results of first differential photoionization mass spectrometry measurements. Complex-mediated H-transfers are inferred to have rates of the same order as those for intramolecular hydrogen rearrangements, suggesting a similar range of motion of the reactive sites in both types of reactions. It is also concluded that at their fastest H-transfers take place between the partners in ion-neutral complexes within at most the time of several rotations of the partners in the complexes. Copyright 1999 John Wiley & Sons, Ltd.     

Higher accuracy analytical approximations to a nonlinear oscillator with discontinuity by He's homotopy perturbation method

He's homotopy perturbation method is used to calculate higher-order approximate periodic solutions of a nonlinear oscillator with discontinuity for which the elastic force term is proportional to sgn(x). We find He's homotopy perturbation method works very well for the whole range of initial amplitudes, and the excellent agreement of the approximate frequencies and periodic solutions with the exact ones has been demonstrated and discussed. Only one iteration leads to high accuracy of the solutions with a maximal relative error for the approximate period of less than 1.56% for all values of oscillation amplitude, while this relative error is 0.30% for the second iteration and as low as 0.057% when the third-order approximation is considered. Comparison of the result obtained using this method with those obtained by different harmonic balance methods reveals that He's homotopy perturbation method is very effective and convenient.     

Stoffwechselprodukte von Actinomyceten

Ohne ZusammenfassungMit 1 AbbildungHerrn Prof. Dr.F. Wessely zum 60. Geburtstag gewidmet.10. Mitt.: Helv. Chim. Acta40, 1768 (1957).     

Optimization of a 1 mm thick PVA/acrylamide recording material to obtain holographic memories: method of preparation and holographic properties

Information holographic storage is a very promising technique due to its high theoretical capacity. One of the key factors in developing holographic memories is the need for a suitable recording material which must have certain specific characteristics. In particular, in order to achieve a high storage density it is necessary to work with great thicknesses. One of the essential requirements for holographic memories to be competitive is that the material must have a thickness of 500 μm or more, but it is not easy to find such thicknesses with the photopolymers currently available. In this study, we develop a method of preparing layers of a polyvinyl alcohol/acrylamide based photopolymer approximately 1 mm thick. Optimization of this material makes it possible to obtain good results for the main holographic parameters; diffraction efficiency 70% and energetic sensitivity 50 mJ/cm². PACS 42.70.Ln; 42.40.Pa; 42.40.Ht An erratum to this article can be found at .     

Synthesis of bridged azabicyclic structures via ring-closing olefin metathesis

A new strategy for the facile synthesis of azabicyclo[m.n.1]alkenes (m = 3-5; n = 3, 2) has been developed that involves the ring-closing metathesis (RCM) reaction of cis-2,6-dialkenyl-N-acyl piperidine derivatives. The requisite 2,6-dialkenylpiperidines may be readily prepared in six steps starting from glutarimide (11) or three steps from 4-methoxypyridine (25). In one example that establishes the practical utility of the procedure, the functionalized 8-azabicyclo[3.2.1]octane 32, which is a potential intermediate for the syntheses of various tropane alkaloids, was prepared. Additionally, a new route for the construction of the bridged tetrahydro-beta-carboline ring system 5 has been developed that features the ring-closing metathesis of the enyne 45 to construct the bridging ring in 46. This concise route to 46 also features a potentially general and useful procedure for the one-step preparation of a terminal alkyne from an ester function. Selective oxidation of the vinyl group in 46 afforded the unsaturated aldehyde 47, which may serve as a useful intermediate in syntheses of several Sarpagine alkaloids.