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81.
82.
Bianca Flavia Bonini Luca Bernardi Mauro Comes-Franchini Gabriella Dessole Mariafrancesca Fochi Alfredo Ricci 《Phosphorus, sulfur, and silicon and the related elements》2013,188(5-6):1273-1277
Abstract Enantiomerically pure 2-hydroxyalkyl, 2-aminoalkyl and 2-iminoalkyl ferrocenyl p-tolylsulfides are easily prepared in good yields and with complete diastereocontrol from (S)-(2-p-tolylthio)ferrocencarboxyaldehyde. 2-Iminoalkyl ferrocenyl derivatives can be used as ligands in asymmetric catalysis and as starting materials for asymmetric Staudinger reaction. 相似文献
83.
Brent D. Viers 《高分子科学杂志,A辑:纯化学与应用化学》2013,50(2):131-138
End‐linking poly(dimethylsiloxane) was used to prepare bimodal elastomers networks so as to have inhomogeneous nanostructures, and also to prepare others having very broadly multimodal chain‐length distributions. Macroscopic phase separation, probably high crosslink density clusters, was observed to occur in some of the bimodal networks. The mechanical properties in simple extension and in equilibrium swelling were measured. The bimodal elastomers that were not obviously inhomogeneous showed very good mechanical properties, but the macroscopically phase‐separated networks, and the broadly multimodal network were weak. Analysis of the Mooney‐Rivlin profiles suggests that the reinforcing mechanism could have a structural component in addition to that from the limited extensibilities of the short chains. The mechanical properties and the extents of swelling support the cluster conjecture, in accord with previous morphological studies on spatially‐inhomogeneous polysiloxane elastomers. 相似文献
84.
The dynamic surface elasticity of the solution of carboxymethylchitosan (CMCH) and cetyltrimethylammonium bromide (C16TAB) was measured as a function of the surfactant concentration and the surface age by the oscillating drop method. The results showed that the surface layer of the CMCH/C16TAB solution transformed from loose to structured with the increase in the surfactant concentration. The surface elasticity versus the surface pressure curve during the adsorption showed different features at different surfactant concentration ranges, which was connected with the structural transformation of the surface layer. Our results show that the measurement of dynamic surface dilational properties is a powerful tool for studying the surface kinetics, which is helpful for dealing non-equilibrium systems in industry. 相似文献
85.
The weak anchoring nematic liquid crystal (NLC) cell is investigated with regard to energy. Because the Gibbs free energy of liquid crystal system used in theory does not include temperature and entropy, and because the equations and boundary conditions for δG=0 are also the mechanical equilibrium conditions of the continuum, the Gibbs free energy G is equivalent to the energy E of the liquid crystal continuum. There are multiple solutions which satisfy these equations and boundary conditions, each solution corresponding to a certain energy value. We call these discrete energy values and energy levels. Adopting a simple liquid crystal cell model, the energy levels are calculated in detail by means of analytical and numerical methods. The results show that there are three energy levels (or more in certain cases). The values and sequence of the energy levels are related to the external field and anchoring parameters. The relationships between the energy level structure and the bistable. Fréedericksz transition are disussed, together with their influence on the response time. The physical condition for the existence of more than three energy levels is also given. 相似文献
86.
Optimal and approximate boundary controls of an elastic body with quasistatic evolution of damage
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In this paper, we study an optimal control problem for the mixed boundary value problem for an elastic body with quasistatic evolution of an internal damage variable. We suppose that the evolution of microscopic cracks and cavities responsible for the damage is described by a nonlinear parabolic equation. A density of surface traction p acting on a part of boundary of an elastic body Ω is taken as a boundary control. Because the initial boundary value problem of this type can exhibit the Lavrentieff phenomenon and non‐uniqueness of weak solutions, we deal with the solvability of this problem in the class of weak variational solutions. Using the convergence concept in variable spaces and following the direct method in calculus of variations, we prove the existence of optimal and approximate solutions to the optimal control problem under rather general assumptions on the quasistatic evolution of damage. Copyright © 2014 John Wiley & Sons, Ltd. 相似文献
87.
Matti Schneider 《Mathematical Methods in the Applied Sciences》2015,38(13):2761-2778
The FFT‐based homogenization method of Moulinec–Suquet has recently attracted attention because of its wide range of applicability and short computational time. In this article, we deduce an optimal a priori error estimate for the homogenization method of Moulinec–Suquet, which can be interpreted as a spectral collocation method. Such methods are well‐known to converge for sufficiently smooth coefficients. We extend this result to rough coefficients. More precisely, we prove convergence of the fields involved for Riemann‐integrable coercive coefficients without the need for an a priori regularization. We show that our L2 estimates are optimal and extend to mildly nonlinear situations and Lp estimates for p in the vicinity of 2. The results carry over to the case of scalar elliptic and curl ? curl‐type equations, encountered, for instance, in stationary electromagnetism. Copyright © 2014 John Wiley & Sons, Ltd. 相似文献
88.
Pavol Ondrisek Dr. Margaux Elie Marion Pupier Dr. Adiran de Aguirre Dr. Amalia I. Poblador-Bahamonde Dr. Céline Besnard Prof. Jérôme Lacour 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(15):e202104405
Cationic triangulenes, and related helicenes, constitute a rich class of dyes and fluorophores, usually absorbing and emitting light at low energy, in the orange to red domains. Recently, to broaden the scope of applications, regioselective late-stage functionalizations on these core moieties have been developed. For instance, with the introduction of electron-donating groups (EDGs), important bathochromic shifts are observed pushing absorptions towards or in the near-infrared (NIR) spectral domain while emissive properties disappear essentially completely. Herein, to upset this drawback, acetylene derivatives of cationic diazaoxa triangulenes (DAOTA) and [4]helicenes are prepared (16 examples). Contrary to other EDG-functionalized derivatives, C≡C− functionalized products remain broadly fluorescent, with red-shifted absorptions (Δλabs up to 25 nm) and emissions (Δλem up to 73 nm, ΦPL up to 51 %). Quite interestingly, a general dynamic stereoisomerism phenomenon is evidenced for the compounds derived from achiral DAOTA cores. At low temperature in 1H NMR spectroscopy (218 K), N−CH2 protons become diastereotopic with chemical shifts differences (Δδ) as high as +1.64 ppm. The signal coalescence occurs around 273 K with a barrier of ∼12 kcal mol−1. This phenomenon is due to planar chiral conformations (Sp and Rp configurations), induced by the geometry of the alkyl (n-propyl) side-chains next to the acetylenic substituents. Ion pairing studies with Δ-TRISPHAT anion not only confirm the occurrence of the chiral conformations but evidence a moderate but definite asymmetric induction from the chiral anion onto the cations. Finally, DFT calculations offer a valuable insight on the geometries, the corresponding stereodynamics and also on the very large difference in NMR for some of the diastereotopic protons. 相似文献
89.
90.
First-principles calculations were performed to investigate the structural properties, phase stabilities, elastic properties and thermal conductivities of MP (M = Ti, Zr, Hf) monophosphides. These monophosphides are thermodynamically and mechanically stable. Values for the bulk modulus B, shear modulus G, Young’s modulus E and Poisson’s ratio ν were calculated by Voigt–Reuss–Hill approximation. The mechanical anisotropy was discussed via several anisotropy indices and three-dimensional (3D) surface constructions. The order of elastic anisotropy is ZrP > HfP > TiP. The minimum thermal conductivities of these monophosphides were investigated using Clarke’s model and Cahill’s model. The results revealed that these monophosphides are suitable for use as thermal insulating materials and that their minimum thermal conductivities are anisotropic. 相似文献