Cellulose-based fibers from liquid–crystalline solutions. II. Processing and morphology of acetate/butyrate esters

Fibers were spun from isotropic and anisotropic dimethylacetamide solutions of cellulose esters. Take-up speeds of the dry jet/wet spinning process varied. Water served as the coagulant. The mechanical properties of the fibers increased as spinning progressed from the isotropic to the anisotropic state of the solution. A trade-off in solubility and fiber properties was noted as the butyryl acetyl ratio decreased. Whereas high butyryl content enhances both overall solubility and the formation of liquid–crystalline solutions at lower concentration, it results in lower fiber modulus and strength. Morphology of the fibers depended on the coagulation rate which was influenced by the concentration of the sppinning solution. The level of orientation and crystallinity of the fibers increased somewhat when they were spun from liquid-crystalline solutions. © 1993 John Wiley & Sons, Inc.     

Ab initio study on structure and phase transition of A- and B-type rare-earth sesquioxides Ln2O3 (Ln=La-Lu, Y, and Sc) based on density function theory

Ab initio energetic calculations based on the density functional theory (DFT) and projector augmented wave (PAW) pseudo-potentials method were performanced to determine the crystal structural parameters and phase transition data of the polymorphic rare-earth sesquioxides Ln₂O₃ (where Ln=La-Lu, Y, and Sc) with A-type (hexagonal) and B-type (monoclinic) configurations at ground state. The calculated results agree well with the limited experimental data and the critically assessed results. A set of systematic and self-consistent crystal structural parameters, energies and pressures of the phase transition were established for the whole series of the A- and B-type rare-earth sesquioxides Ln₂O₃. With the increase of the atomic number, the ionic radii of rare-earth elements Ln and the volumes of the sesquioxides Ln₂O₃ reflect the so-called “lanthanide contraction”. With the increase of the Ln³⁺-cation radius, the bulk modulus of Ln₂O₃ decreases and the polymorphic structures show a degenerative tendency.     

Microscopically structural studies of lithium niobate powders

On the basis of the crystallographic characteristics of lithium niobate (LN) crystals, Law of Bravais and Pauling's third rule (i.e. Polyhedral Sharing Rule) are employed with the aim to find the relationship between the crystal structure and morphological faces of LN powders. In order to validate our analytical results, we have successfully synthesized LN powders and measured the corresponding X-ray powder diffraction. Our results show that the structural analysis is consistent with the experimental data and is helpful and effective for us to control the single-crystal growth and to design superstructures at the specific plane, starting from the viewpoint of the microscopic behaviors of constituent chemical bonds and polyhedra in the crystallographic frame.     

Three-dimensional structure of the calcite-water interface by surface X-ray scattering

The three-dimensional structure of the calcite (104)-water interface has been determined with surface X-ray scattering. Nine crystal truncation rods (including specular and non-specular rods) were measured providing both vertical and lateral sensitivity to the interfacial structure. The results reveal that calcite is nearly ideally terminated with a single surface hydration layer that includes two inequivalent water molecules having distinct heights of 2.3 ± 0.1 and 3.5 ± 0.2 Å, each with a well-defined lateral registry with respect to the calcite surface. No additional layering of water is observed beyond this surface hydration layer. Small displacements in the outer two calcium carbonate layers were also observed. These results are compared with previous experimental and computational results.     

Potential-dependent structure of the interfacial water on the gold electrode

Doubly tunable sum frequency generation (SFG) spectra demonstrate that the water molecules at gold/electrolyte interface change their orientation with applied potential. At negative potentials, water molecules in the double layer align with their oxygen atom pointing to the solution. As potential became positive to be close to the potential of zero charge (PZC), the SFG signal decreased, suggesting the OH groups of the water molecule are either in random orientation or parallel to the electrode. As potential became more positive than the PZC, the SFG signal increased again with the oxygen-up orientation as same as in the negative potential region, indicating that water molecules interact with the adsorbed sulfate anions. The peak position of the SFG spectra indicates a relatively disordered state of water molecules at the gold electrode surface, in contrast to the previously observed ice-like structure of water at electrolyte/oxide interfaces.     

资源共享方式若干问题的研讨

社会公用服务系统和工程技术系统，存在共同的资源共享问题。本文通过典例就资源共享方式的若干问题加以探究：讨论广义的多用户系统中人工资源共享方式的分类；阐述常用的共享方式的特点、优缺点；分析系统时间性能及其改进与共享方式的关系等。文章还提出在系统工程范畴里，应对社会公用服务和工程技术两类系统的资源共享方式予以综合研究，并相互借鉴和移植。     

Chemical synthesis of p-type nanocrystalline copper selenide thin films for heterojunction solar cells

Nanocrystalline thin films of copper selenide have been grown on glass and tin doped-indium oxide substrates using chemical method. At ambient temperature, golden films have been synthesized and annealed at 200 °C for 1 h and were examined for their structural, surface morphological and optical properties by means of X-ray diffraction (XRD), scanning electron microscopy and UV-vis spectrophotometry techniques, respectively. Cu_2−xSe phase was confirmed by XRD pattern and spherical grains of 30 ± 4 - 40 ± 4 nm in size aggregated over about 130 ± 10 nm islands were seen by SEM images. Effect of annealing on crystallinity improvement, band edge shift and photoelectrochemical performance (under 80 mW/cm² light intensity and in lithium iodide electrolyte) has been studied and reported. Observed p-type electrical conductivity in copper selenide thin films make it a suitable candidate for heterojunction solar cells.     

Preparation and characterization of rigid poly(vinyl chloride)/MMT nanocomposites. II. XRD,morphological and mechanical characteristics

A Haake torque rheometer equipped with an internal mixer is used to study the influence of the amount of sodium montmorillonite (Na⁺‐MMT) and organically modified MMT (O‐MMT) on X‐ray diffraction (XRD), morphology, and mechanical characteristics of rigid poly (vinyl chloride) (PVC)/Na⁺‐MMT and PVC/O‐MMT nanocomposites, respectively. Results of XRD and transmission electron microscopy (TEM) indicate that MMT is partially encapsulated and intercalated in the rigid PVC/Na⁺‐MMT nanocomposites. However, results of XRD and TEM show MMT is partially intercalated and exfoliated in the rigid PVC/O‐MMT nanocomposites. Tensile strength, yield strength, and elongation at break of the rigid PVC/MMT nanocomposites were improved simultaneously with adding 1–3 wt % Na⁺‐MMT or O‐MMT with respect to that of pristine PVC. However, the addition of Na⁺‐MMT or O‐MMT should be kept as not more than 3 wt % to optimize the mechanical properties and the processing stability of the rigid PVC/MMT nanocomposites. SEM micrographs of the fractured surfaces of the rigid PVC/Na⁺‐MMT and PVC/O‐MMT nanocomposites both before and after tensile tests were also illustrated and compared. © 2006 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 2145–2154, 2006