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11.
12.
MgO films were grown on (0 0 1) yttria-stabilized zirconia (YSZ) substrates by molecular beam epitaxy (MBE). The crystalline structures of these films were investigated using X-ray diffraction and transmission electron microscopy. Growth temperature was varied from 350 to 550 °C, with crystalline quality being improved at higher temperatures. The MgO films had a domain structure: (1 1 1)[1 1 2¯]MgO(0 0 1)[1 0 0]YSZ with four twin variants related by a 90° in-plane rotation about the [1 1 1]MgO axis. The observed epitaxial orientation was compared to previous reports of films grown by pulsed laser deposition and sputtering and explained as resulting in the lowest interface energy.  相似文献   
13.
Reduction of tetranuclear heterometallic complex Mo2Mg2 was simulated using the B3LYP and PBE density functional methods. The results of geometry calculations of the initial complex [MoVIO2Mg(MeOH)2(OMe)4]2 and a partially reduced MoV complex are in good agreement with experimental data. The reduced MoIII complex is characterized by a decrease in the binding energy of aqua ligands. Structural rearrangement of the complex with release of a coordination position at the Mo atoms requires small energy expenditure. One can assume that the reduction of the polynuclear complex causes overcrowding of its coordination sphere, which favors formation of dinitrogen complexes. Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 3, pp. 441–457, March, 2008.  相似文献   
14.
The paper deals with a singularly perturbed reaction diffusionmodel problem. The focus is on reliable a posteriori error estimatorsfor the H1 seminorm that can be applied to anisotropic finiteelement meshes. A residual error estimator and a local problemerror estimator are proposed and rigorously analysed. They arelocally equivalent, and both bound the error reliably. Threemodifications of these estimators are introduced and discussed. Much attention is given to the performance of the error estimatorin numerical experiments. This helps to identify those estimatorsthat are suitable for practical applications.  相似文献   
15.
Within the Johnson schemeI(m, d) we find the graphK(m, d) ofd-subsets of anm-set, two such adjacent when disjoint. Among all connected graphs,K(m, d) is characterized by the isomorphism type of its vertex neighborhoods providedm is sufficiently large compared tod. Partial support provided by NSF (USA), SERC (UK), ZWO (NL).  相似文献   
16.
A molecular dynamics method has been used to simulate the argon ion-assisted deposition of Cu/Co/Cu multilayers and to explore ion beam assistance strategies that can be used during or after the growth of each layer to control interfacial structures. A low-argon ion energy of 5–10 eV was found to minimize a combination of interfacial roughness and interlayer mixing (alloying) during the ion-assisted deposition of multilayers. However, complete flattening with simultaneous ion assistance could not be achieved without some mixing between the layers when a constant ion energy approach was used. It was found that multilayers with lower interfacial roughness and intermixing could be grown either by modulating the ion energy during the growth of each metal layer or by utilizing ion assistance only after the completion of each layers deposition. In these latter approaches, relatively high-energy ions could be used since the interface is buried and less susceptible to intermixing. The interlayer mixing dependence upon the thickness of the over layer has been determined as a function of ion energy.  相似文献   
17.
The TiO2(110) surfaces were observed by a Scanning Tunneling Microscope (STM). We found two types of bright p(1×1)-type rows on the p(1×2) surface. One p(1×1)-type formed independently and corresponds to the bridging oxygen rows. The second p(1×1)-type appeared in a bright grouping, forming narrow rows, and corresponds to the five-fold titanium rows. The above results suggest the following two conclusions. First, the density of state (DOS) on the bridging oxygen rows becomes higher than that on the five-fold titanium atom rows when a bridging oxygen row exists independently on the p(1×2) surface. Second, the bright rows on a TiO2(110)-p(1×1) surface correspond to the five-fold titanium atom rows. The results further show the validity of DOS calculations on the TiO2(110)-p(1×1) surface by Diebold et al. [Phys. Rev. Lett. 77 (1996) 1322]. The difference of width for Ti2O3 unit rows on the p(1×2) and p(1×3) surfaces in STM images are also discussed.  相似文献   
18.
Some bounds on the entries and on the norm of the inverse of triangular matrices with nonnegative and monotone entries are found. All the results are obtained by exploiting the properties of the fundamental matrix of the recurrence relation which generates the sequence of the entries of the inverse matrix. One of the results generalizes a theorem contained in a recent article of one of the authors about Toeplitz matrices.  相似文献   
19.
An element σ of An, the Alternating group of degree n, is extendible in Sn, the Symmetric group of degree n, if there exists a subgroup H of Sn but not An whose intersection with An is the cyclic group generated by σ. A simple number-theoretic criterion, in terms of the cycle-decomposition, for an element of An to be extendible in Sn is given here.  相似文献   
20.
We survey results concerning the representations of lattices as lattices of congruences and as lattices of equational theories. Recent results and open problems will be mentioned.To László Fuchs on the occasion of his 70th birthday  相似文献   
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