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21.
Using the full-potential linearized augmented plane wave (FP-LAPW) method, we have studied the effect of chemistry on the average intercalation voltage (AIV) caused by the Na ions intercalating into transition metal oxides. The effect of transition metal was systematically studied by varying M=Co, Ni and Mn in NaMO2 and fixing the α-NaFeO2 layered structure. The effect of the guest atoms into the host material is discussed in terms of the structural and electronic properties. Comparatively to Li intercalation, a significant electron transfer towards transition metal was found. This observation suggests that the transition metal contribute to the AIV determination and confirms the common assumption that intercalated electron reduces M4+ to M3+. 相似文献
22.
介绍了虚拟技术在实验教学改革中的作用与意义,探讨了电子信息系统实验教学改革的新思路与实现措施,并总结了实验教学改革的初步成果. 相似文献
23.
The central zinc(II) atom in the title complex is tetrahedrally coordinated by four nitrogen atoms derived from 4‐methyl‐5‐imidazolecarboxyaldehyde ligands with Zn? N in the range 2.007(3) to 2.026(4) Å. Copyright © 2003 John Wiley & Sons, Ltd. 相似文献
24.
A new hydrophilic copolymer having three kinds of hydroxyl groups, i.e. primary OH on -hydroxy allyl alcohol component, secondary OH on cyclic hemiacetal component and tertiary OH on -hydroxy acrylate component, was prepared by reducing a ‘polylactone’, poly(1-oxa-2-oxobutane-1,4:3,3-tetrayl), with NaBH4 in mixed solvents containing an alcohol. The structural analyses were performed by the solution 1H NMR and the solid state 13C NMR spectroscopies of the reduced samples. The composition of the three components turned out to be variable to the alcohol species used for the mixed solvent. 相似文献
25.
Victor Alexandrov 《Geometriae Dedicata》2004,107(1):169-186
Classical H. Minkowski theorems on existence and uniqueness of convex polyhedra with prescribed directions and areas of faces as well as the well-known generalization of H. Minkowski uniqueness theorem due to A.D. Alexandrov are extended to a class of nonconvex polyhedra which are called polyhedral herissons and may be described as polyhedra with injective spherical image. 相似文献
26.
27.
A. Filarowski A. Koll A. Kochel J. Kalenik P. E. Hansen 《Journal of Molecular Structure》2004,700(1-3):67-72
The crystal structures of two ortho-hydroxy ketones (5-chloro-2-hydroxyacetophenone (I K) and 3,5-dichloro-2-hydroxyacetophenone (II K)) have been determined with X-ray diffraction at 100 K. A comparison of steric effects on properties of pseudoaromatic hydrogen bonds in ortho-hydroxy acetophenone and ortho-hydroxy ketimines have been carried out with the application of crystallographic data.
Nuclear quadrupole resonance (NQR) spectra have been measured and interpreted. 相似文献
28.
29.
A. C. Orifici R. S. Thomson R. Degenhardt C. Bisagni J. Bayandor 《Mechanics of Composite Materials》2007,43(1):9-28
Analysing the collapse of skin-stiffened structures requires capturing the critical phenomenon of skin-stiffener separation,
which can be considered analogous to interlaminar cracking. This paper presents the development of a numerical approach for
simulating the propagation of interlaminar cracks in composite structures. A degradation methodology was introduced in MSC.Marc,
which involved the modelling of a structure with shell layers connected by user-defined multiple-point constraints (MPCs).
User subroutines were written that employ the virtual crack closure technique (VCCT) to determine the onset of crack growth
and modify the properties of the user-defined MPCs to simulate crack propagation. Methodologies for the release of failing
MPCs are presented and are discussed with reference to the VCCT assumption of self-similar crack growth. The numerical results
obtained by using the release methodologies are then compared with experimental data for a double-cantilever beam specimen.
Based on this comparison, recommendations for the future development of the degradation model are made, especially with reference
to developing an approach for the collapse analysis of fuselage-representative structures.
Russian translation published in Mekhanika Kompozitnykh Materialov, Vol. 43, No. 1, pp. 15–42, January–February, 2007. 相似文献
30.
Xu Zhang Dongfeng Xue Meinan Liu Henryk Ratajczak Dongli Xu 《Journal of Molecular Structure》2005,754(1-3):25-30
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. 相似文献