Structural optimization design for large mirror

The system design must be started from the concept with low cost and high performance. In this point, the topological shape of the structure is very important in the view of the structural rigidities and light-weight design.In this paper, the optimization methodology is presented in the design stage of the large optical mirror. We obtain the optimal layout through the topology optimization and then design the details through the size or shape optimization for structural rigidity.     

最大似然方法和Bayes方法在结构方程模型分析中的讨论(英文)

本文通过模拟研究,讨论了最大似然方法和Bayes方法在分析结构方程模型中的相似点和不同之处。     

InAs/GaSb/AlSb resonant tunneling spin device concepts

We discuss device concepts for creating spin-polarized current sources without external magnetic fields, using non-magnetic 6.1 Å semiconductor resonant tunneling structures. Spin filters, spin pumps, and spin transistors that exploit structural and bulk inversion asymmetries will be examined.     

Structural and electrical characterization of SxSe100−x thin films

Thin films of samples of the glassy S_xSe_100−x system with 0 ≤ x ≤ 7.28 have been prepared by thermal evaporation technique at room temperature (300 K). X-ray investigations show that the structure of pure selenium (Se) does change seriously by the addition of small amount of sulphur S ≤7.28%. The lattice parameters were determined as a function of sulphur content. Results of differential thermal analysis (DTA) of the glassy compositions of the system S_xSe_100−x were discussed. The characteristic temperatures (T_g, T_c and T_m) were evaluated. Dark electrical resistivities, ρ, of S_xSe_100−x thin films with different thicknesses from 100 to 500 nm, were measured in the temperature range from 300 to 423 K. Two distinct linear parts with different activation energies were observed. The variation of electrical resistivity of examined compositions has been discussed as a function of the film thickness, temperature and the sulphur content. The application of Mott model for the phonon assisted hopping of small polarons gave the same two activation energies obtained from the resistivity temperature calculations.     

An evolutionary method for optimization of plate buckling resistance

Optimization of plate buckling resistance is very complicated, because the in-plane stress resultants in the prebuckled state of a plate are functions of thickness distribution. This paper discusses the problem of finding the optimum thickness distribution of isotropic plate structures, with a given volume and layout, that would maximise the buckling load. A simple numerical method using the finite-element analysis is presented to obtain the optimum thickness distribution. Optimum designs of compression-loaded rectangular plates with different boundary conditions and plate aspect ratios are obtained by using the proposed method. Optimum designs from earlier studies and the methods of buckling analysis used to attain these results are discussed and compared with the designs from the proposed method. This paper also examines the reliability of the optimality criterion generally used for plate buckling optimization, which is based on the uniform strain energy density.     

晶化温度对中孔分子筛（M41S）结构转变的影响

在低表面活性剂浓度及低表面活性剂与氧化硅比的条件下，研究了十六烷基三甲基溴化铵－硅酸钠体系中晶化温度对中孔分子筛Ｍ４１Ｓ材料结构转变的影响。结果有，晶化温度提高至１３５℃改变了原六方晶相ＭＣＭ－４１的结构，晶化温度提高到１５０℃后，中孔结构六方ＭＣＭ－４１晶格转变为变不稳定的层状相，     

无机螺旋体超分子配合物的组装、应用和结构转化研究进展

简述了近年来报道的具有新颖结构和性能的无机螺旋体超分子配合物的组装、应用和结构转化方面的最新进展,并展望了无机螺旋体的发展前景及其开发应用潜力。     

Separation of structural isomers using cyclodextrin-polymers coated on silica beads

Summary Several -cyclodextrin (CD)-bonded stationary phases for high performance liquid chromatography (HPLC) were prepared, based on silica beads coated with a poly(alkylamine), [poly(ethyleneimine)(PEI)]. In order to obtain stationary phases with a high content of CD and maximum accessibility of the CD cavity, the functionalization was carried out after the coating, using the mono-tosyl derivative of CD as the intermediate. The ability of these supports to separate ortho, meta and para isomers of some disubstituted benzene derivatives was examined. The contribution of the amino groups of the polymer and of the CD cavity to the separation process is discussed. The resolution is mainly based on the difference in the stability of the complexes of the various isomers with CD. The influence of the amount of CD on the height of the theoretical plate is also studied.     

Different approaches toward an automatic structural alignment of drug molecules: Applications to sterol mimics,thrombin and thermolysin inhibitors

Summary A relative comparison of the binding properties of different drug molecules requires their mutual superposition with respect to various alignment criteria. In order to validate the results of different alignment methods, the crystallographically observed binding geometries of ligands in the pocket of a common protein receptor have been used. The alignment function in the program SEAL that calculates the mutual superposition of molecules has been optimized with respect to these references. Across the reference data set, alignments could be produced that show mean rms deviations of approximately 1 Å compared to the experimental situation. For structures with obvious skeletal similarities a multiple-flexible fit, linking common pharmacophoric groups by virtual springs, has been incorporated into the molecular mechanics program MOMO. In order to combine conformational searching with comparative alignments, the optimized SEAL approach has been applied to sets of conformers generated by MIMUMBA, a program for conformational analysis. Multiple-flexible fits have been calculated for inhibitors of ergosterol biosynthesis. Sets of different thrombin and thermolysin inhibitors have been conformationally analyzed and subsequently aligned by a combined MIMUMBA/SEAL approach. Since for these examples crystallographic data on their mutual alignment are available, an objective assessment of the computed results could be performed. Among the generated conformers, one geometry could be selected for the thrombin and thermolysin inhibitors that approached reasonably well the experimentally observed alignment.     

Solid-state synthesis, structural variants and transformation of three-dimensional sulfides, AGaSnS4 (A=Na, K, Rb, Cs, Tl) and Na1.263Ga1.263Sn0.737S4

New cubic-AGaSnS₄ (A=Na, K, Rb, Cs, Tl) and orthorhombic-NaGaSnS₄ compounds were synthesized by solid-state reactions and characterized by X-ray diffraction and diffuse reflectance spectroscopy. Single crystals of orthorhombic-Na_1.263Ga_1.263Sn_0.737S₄ were obtained in the crystal growth attempts of sodium compound. All six new compounds have orthorhombic AgGaGeS₄ and cubic BaGa₂S₄ structures, as determined from single crystal X-ray structures of Na_1.263Ga_1.263Sn_0.737S₄ and cubic-AGaSnS₄ (A=Na, K, Rb). Orthorhombic-NaGaSnS₄ and known layered-KGaSnS₄ undergo structural transformation to thermodynamically stable cubic form.