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Mathieu Dutour Sikiri Alexey Garber Achill Schürmann Clara Waldmann 《Acta Crystallographica. Section A, Foundations and Advances》2016,72(6):673-683
This paper reports on the full classification of Dirichlet–Voronoi polyhedra and Delaunay subdivisions of five‐dimensional translational lattices. A complete list is obtained of 110 244 affine types (L‐types) of Delaunay subdivisions and it turns out that they are all combinatorially inequivalent, giving the same number of combinatorial types of Dirichlet–Voronoi polyhedra. Using a refinement of corresponding secondary cones, 181 394 contraction types are obtained. The paper gives details of the computer‐assisted enumeration, which was verified by three independent implementations and a topological mass formula check. 相似文献
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The alicyclic ring contraction of perfluoro-1-phenyltetralin in reaction with antimony pentafluoride
Perfluoro-1-phenyltetralin (1) heated with antimony pentafluoride at 130 °C, then treated with water, gave a mixture of perfluorinated 3-methyl-2-phenylindenone (3), 3-methyl-2-phenylindene (4), 3-hydroxy-1-methyl-3-phenylindan (5), 1-methyl-3-phenylindan (6), 9-methyl-1,2,3,4,5,6,7,8-octahydroanthracene (7), and 1,9-dimethyl-5,6,7,8-tetrahydro-β-naphthindan (8). When heated with SbF5 in the presence of HF, then treated with water, compound 1 is transformed to a mixture of products 3-6. The reaction at 170 and 200 °C forms compounds 3-6 together with perfluoro-2-(cyclohexen-1-yl)-3-methylindene (10). 相似文献
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Vakhid A. Mamedov Dina F. Saifina Aidar T. Gubaidullin Alina F. Saifina Il’dar Kh. Rizvanov 《Tetrahedron letters》2008,49(43):6231-6233
A highly efficient one-step and versatile method for the synthesis of 2-(indolizin-2-yl)benzimidazoles has been developed on the basis of the novel ring contraction of 3-arylchloromethyl- and alkylchloromethylquinoxalin-2-ones with α-picoline. 相似文献
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In this study, we have investigated the influence of shape of planar contractions on the orientation distribution of stiff fibers suspended in turbulent flow. To do this, we have employed a model for the orientational diffusion coefficient based on the data obtained by high-speed imaging of suspension flow at the centerline of a contraction with flat walls. This orientational diffusion coefficient depends only on the contraction ratio and turbulence intensity. Our measurements show that the turbulence intensity decays exponentially independent of the contraction angle. This implies that the turbulence variation in the contraction is independent of the shape, consistent with the results by the rapid distortion theory and the experimental results of axisymmetric contractions. In order to determine the orientation anisotropy, we have solved a Fokker–Planck type equation governing the orientation distribution of fibers in turbulent flow. Although the turbulence variation and the orientational diffusion are independent of the contraction shape, the results show that the variation of the orientation anisotropy is dependent on shape. This can be explained by the variation of the rotational Péclet number, Per, inside the contractions. This quantity is a measure of the importance of the mean rate of the strain relative to the orientational diffusion. We have shown that when Per < 10 turbulence can significantly influence the evolution of the orientation anisotropy. Since in contractions with identical inlet conditions the streamwise position where Per = 10 depends on the shape, the orientation anisotropy is dependent on the variation of rate of strain in a given contraction. We demonstrate the shape effect by considering contraction with flat walls as well as three contractions with different mean rate of strain variation. 相似文献
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Direct simulations of macromolecular fluids are carried out for flows between parallel plates and in expanding and contracting channels. The macromolecules are modeled as FENE dumbbells with soft disks or Lennard-Jones dumbbell-dumbbell interactions. The results are presented in terms of profiles and contour plots of velocity, pressure, temperature, density, and flow fields. In addition the data for potential energy, shear stress, and the normal components of the stress tensor are collected. In general, an excellent agreement is found between the simulated profiles and the well-known flow structures, such as flow separation and formation of viscous eddies, indicating that micro-hydrodynamics is a viable tool in linking macroscopic phenomena with the underlying physical mechanisms. The simulations are performed in the Newtonian regime, for medium-size systems comprising up to 3888 dumbbells. This number is sufficiently large to control boundary and particle number effects. The flow is induced by gravity. The traditional stochastic (thermal) and periodic boundary conditions are employed. Also, diffusive boundary conditions, which could include a stagnant fluid layer and repulsive potential walls, are developed. The scaling problems, which are related to the application of a large external force in a microscopic system (of the size of the order 100 Å), result in extreme pressure and temperature gradients. In addition, the viscosity and thermal conductivity coefficients obtained from velocity and temperature profiles of the channel flow are presented. These results are confirmed independently from modeling of Couette flow by the SLLOD equations of motion and from the Evans algorithm for thermal conductivity. 相似文献
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