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31.
32.
The graphite‐like yttrium hydride halides, YIHn (0.8 ? n ? 1.0), have been prepared in quantitative yields by heating either YI3, YH2 (1:2) or stoichiometric YI3, YH2, Y mixtures in sealed Ta ampoules at 900°C. A lower limit of the homogeneity range, n ≈ 2/3, has been determined from dehydrogenation experiments. All YIHn phases adopt the ZrBr‐type heavy‐atom structure. The hydrogen variation is accompanied by a change in the c lattice constant from 31.162(3) to 31.033(1) Å for n = 0.61(3) to 1.02(3). The YIHn phases reversibly react with hydrogen at 400‐600°C to form the light green transparent compound YIH2. However, increasing the reaction temperature above 700°C causes decomposition to an unidentified phase being in equilibrium with YH2 and YI3. The arrangement of the heavy atoms in YIH2 (P m1; a = 3.8579(3) Å, c = 10.997(1) Å) corresponds to a four‐layer I‐Y‐Y‐I slab with the stacking sequence (AbaB) as was found by x‐ray powder diffraction data refinement with the Rietveld method. A miscibility gap exists between YIH and YIH2. Samples YIHn (n ? 1.0) show metallic conductivity at room temperature, which changes into semiconducting behavior with decreasing temperature as n approaches its lower value ≈ 2/3. 相似文献
33.
Chemical Bonding and Pressure‐Induced Change of the Electron Configuration of Ytterbium in β‐YbAgGa2
Ulrich Schwarz Marcus Schmidt Roman Gumeniuk Walter Schnelle Michael Hanfland Konstantin Klementiev Yuri Grin 《无机化学与普通化学杂志》2004,630(1):122-126
Single‐phase polycrystalline samples of the intermetallic compound β‐YbAgGa2 were synthesized by inductive heating and subsequent annealing for eight weeks at 670 K. Magnetic properties were characterized by susceptibility measurements and indicated intermediate valence of ytterbium at ambient pressure. Angle‐dispersive X‐ray powder diffraction data of orthorhombic β‐YbAgGa2 indicate stability of the phase in the investigated pressure range from 0.1 MPa (ambient pressure) to 19 GPa. The pressure‐induced volume decrease is accompanied by an increase of the effective valence from 2.17 at ambient conditions to 2.71 at 16 GPa as evaluated by X‐ray absorption spectroscopy at the Yb LIII threshold. Analysis of the chemical bonding in β‐YbAgGa2 by integrating the electron density of the polyanion in basins as defined by the electron localization function results in an electron count Yb2.7+[(Ag0.2—)(Ga1(3b)1.0—)(Ga2(4b)1.5—)]. This finding is close to the expected values calculated by means of the Zintl rules and fits well the results of magnetic susceptibility measurements and XAS investigations. 相似文献
34.
The incongruent solvation of M(I)4P6 species (M(I) = K, Rb, Cs) in liquid ammonia leads to a broad variety of polyphosphides such as P7(3-), P11(3-), and the putatively aromatic P4(2-) and P5(-), which we investigated by using NMR spectroscopy and single-crystal X-ray structure analysis. The structures of Cs2P4 x 2 NH3, (K@[18]crown-6)3K3(P7)2 x 10 NH3, Rb3P7 x 7 NH3, and (Rb@[18]crown-6)3P7 x 6 NH3 are discussed and compared. The electron localization function ELF is used in a comparison of the chemical bonding of various phosphorus species. The variances of the basin populations provide a well-established measure for electron delocalization and therefore aromaticity. While comparable variance is calculated for P4(2-) and P5(-) it is observed in the lone pairs rather than in the basin populations of the bonds as in the prototypical aromatic hydrocarbons such as benzene or the cyclopentadienide anion. For this behavior, the term "lone pair aromaticity" is proposed. 相似文献
35.
The intersection marker method for 3D interface tracking of deformable surfaces in finite volumes
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Currently, the majority of computational fluid dynamics (CFD) codes use the finite volume method to spatially discretise the computational domain, sometimes as an array of cubic control volumes. The Finite volume method works well with single‐phase flow simulations, but two‐phase flow simulations are more challenging because of the need to track the surface interface traversing and deforming within the 3D grid. Surface area and volume fraction details of each interface cell must be accurately accounted for, in order to calculate for the momentum exchange and rates of heat and mass transfer across the interface. To attain a higher accuracy in two‐phase flow CFD calculations, the intersection marker (ISM) method is developed. The ISM method is a hybrid Lagrangian–Eulerian front‐tracking algorithm that can model an arbitrary 3D surface within an array of cubic control volumes. The ISM method has a cell‐by‐cell remeshing capability that is volume conservative and is suitable for the tracking of complex interface deformation in transient two‐phase CFD simulations. Copyright © 2015 John Wiley & Sons, Ltd. 相似文献
36.
Dandan Bu Yuying Wang Na Wu Wei Feng Donghui Wei Zhanxian Li Mingming Yu 《中国化学快报》2021,32(5):1799-1802
Based on 4-bromo-1,8-naphthalic anhydride, one novel ratiometric fluorescence H2S-probe (IDNA) was designed and synthesized. Further studies indicate that IDNA can sensitively recognize H2S (detection limit of 7 μmol/L) with good selectivity and anti-interference ability. In addition, IDNA has satisfactory photostability in HeLa cells, ability of mitochondrial co-localization, and can be utilized in fluorescence imaging of H2S. 相似文献
37.
This work extends our previous understanding concerning the nonlinear responses of entangled polymer solutions and melts to large external deformation in both simple shear and uniaxial extension. Many similarities have recently been identified for both step strain and startup continuous deformation, including elastic yielding, i.e., chain disentanglement after cessation of shear or extension, and emergence of a yield point during startup deformation that involves a deformation rate in excess of the dominant molecular relaxation rate. At a sufficiently high constant Hencky rate, uniaxial extension of an entangled melt is known to produce window-glass-like rupture. The present study provides evidence against the speculation that chain entanglements tie up into "dead knots" in constant-rate extension because of the exponentially growing chain stretching with time. In particular, it is shown that even Instron-style tensile stretching, i.e., extending a specimen by applying a constant velocity on both ends, results in rupture. Yet, in the same rate range, the same entangled melt only yields in simple shear, and the resulting shear banding is clearly not a characteristic of rupture. Thus, we conclude that chain entanglements respond to simple shear in the manner of yielding whereas uniaxial extension is rather effective in causing some entanglements to lock up, making it impossible for the entanglement network to yield at high rates. 相似文献
38.
39.
Zhao-Long Hu Zhesi Shen Chang-Bing Tang Bin-Bin Xie Jian-Feng Lu 《Physics letters. A》2018,382(14):931-937
Locating sources in a large network is of paramount importance to reduce the spreading of disruptive behavior. Based on the backward diffusion-based method and integer programming, we propose an efficient approach to locate sources in complex networks with limited observers. The results on model networks and empirical networks demonstrate that, for a certain fraction of observers, the accuracy of our method for source localization will improve as the increase of network size. Besides, compared with the previous method (the maximum–minimum method), the performance of our method is much better with a small fraction of observers, especially in heterogeneous networks. Furthermore, our method is more robust against noise environments and strategies of choosing observers. 相似文献
40.
This work is devoted to the study of tensor gauge fields on a string-like defect in six dimensions. This model is very successful in localizing fields of various spins only by gravitational interaction. Due to problems of field localization in membrane models we are motivated to investigate if a string-like defect localizes the Kalb–Ramond field. In contrast to what happens in Randall–Sundrum and thick brane scenarios we find a localized zero mode without the addition of other fields in the bulk. Considering the local string defect we obtain analytical solutions for the massive modes. Also, we take the equations of motion in a supersymmetric quantum mechanics scenario in order to analyze the massive modes. The influence of the mass as well as the angular quantum number in the solutions is described. An additional analysis on the massive modes is performed by the Kaluza–Klein decomposition, which provides new details about the KK masses. 相似文献