Calculations are performed, using a basis of two-center functions described previously, for excited states of the following three-and four-electron compounds: H2–, He2+, He2, Li2+2. High efficiency is demonstrated for the frozen ionic core approximation and the nonorthogonal orbital method in such calculations. For four-electron systems the practical feasibility of the frozen hybrid core approximation is demonstrated.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 8, pp. 53–56, August, 1987. 相似文献
The accuracy of determination of the optical constants of smooth copper surfaces produced by different technologies is analyzed, with particular attention paid to the consideration of the influence of scattered radiation (which is ignored by many authors) on the retrieval of the optical constants of copper surfaces from reflected radiation. The neglect of scattered radiation can lead to errors as high as 50% in determining the optical constants for bulk copper. For thin films, the errors are much lower. The influence of surface oxidation during measurements in air and surface features of studied objects on the parameters to be determined is analyzed as well. It is shown that errors in determination of the constants are maximal in the plasma resonance region of copper.
For an arbitrary poset H and measure ρ on H × R (where R is the real axis), we construct a monotone decreasing stochastic field ηρ and compute its finite-dimensional distributions. In the case where H is a Λ-semilattice and the measure ρ satisfies additional conditions, we compute various characteristics of the field ηρ such as the expectation of the field value at a point, variance of the field value at a point, and correlation function of the field. The described construction of random fields gives a new method for constructing positive definite functions on posets. Bibliography: 6 titles.__________Translated from Zapiski Nauchnykh Seminarov POMI, Vol. 301, 2003, pp. 92–143. 相似文献
Mo2Ni3Si/NiSi metal silicide composite coatings with a fine microstructure consisting of Mo2Ni3Si primary dendrites and the interdendritic Mo2Ni3Si/NiSi eutectics were fabricated on austenitic stainless steel AISI 321 by laser cladding process. Small amplitude reciprocating sliding wear resistance of the coatings is evaluated as functions of normal load and slip amplitude and the wear mechanisms were discussed based on worn surface morphology observations. Results showed that the Mo2Ni3Si/NiSi coatings have excellent small amplitude reciprocating sliding wear resistance. 相似文献
Some polythermal sections of the Ni-Bi-Se system have been investigated by DTA, X-ray powder diffraction, microstructural analysis, and microhardness measurements. The liquidus surface has been constructed for this system. The compounds NiBi2Se4 and Ni3Bi2Se2 are formed by dystectic reactions and melt at 1088 and 980 K, respectively. The regions of primary and joint phase crystallization have been determined. A commutation of Bi2Se3-based thermoelements with a metal nickel bus-bar has been proposed. 相似文献
Catalytic properties of silica-supported heteropolyacids (HPA) in a mechanical mixture with reduced Me-Ce oxides (Me = Ni,
Pd) in n-hexane isomerization are studied. The role of each component of the mixed oxides (Ce and, typically, Ni and Pd) and their
optimum content has been illuminated: cerium is not only beneficial for eliminating or preventing coke deposition but is also
effective for maintaining the Keggin structure of the highly-organized HPA during the reaction and probably allows a better
dispersion of the second metal species. Nickel and palladium, present as Ni0 and Pd0, reinforce the activation of the alkane, which is difficult to obtain by means of a direct attack by an acid, and, thus,
enhance noticeably the activity of the catalyst. The best mechanical mixtures are obtained with 30–70 wt % NiCeO-HPW/SiO2 and 50–50 wt % Pd0.1CeO-HPW/SiO2. These mixtures have the highest efficiency for a Ni/(Ni + W) atomic ratio of 0.66 and a Pd/(Pd + W) ratio of 0.40, respectively.
Finally, the conversion of n-hexane is in the order HPW > HSiW > HBW, which seems to be consistent with the order of their acid strength as per the literature,
but the isomerization selectivity appears to be slightly higher on HSiW.
Published in Russian in Kinetika i Kataliz, 2006, Vol. 47, No. 1, pp. 24–28.
The text was submitted by the authors in English. 相似文献
The traditional chemical industry has become a largely mature industry with many commodity products based on established technologies. Therefore, new product and market opportunities will more likely come from speciality chemicals, and from new functionalities obtained from new processing technologies as well as new microstructure control methodologies. It is a well-known fact that in addition to its molecular structure, the microstructure of a material is key to determining its properties. Controlling structures at the micro- and nano-levels is therefore essential to new discoveries. For this article, we define nanotechnology as the controlled manipulation of nanomaterials with at least one dimension less than 100nm. Nanotechnology is emerging as one of the principal areas of investigation that is integrating chemistry and materials science, and in some cases integrating these with biology to create new and yet undiscovered properties that can be exploited to gain new market opportunities. In this article market opportunities for nanotechnology will be presented from an industrial perspective covering electronic, biomedical, performance materials, and consumer products. Manufacturing technology challenges will be identified, including operations ranging from particle formation, coating, dispersion, to characterization, modeling, and simulation. Finally, a nanotechnology innovation roadmap is proposed wherein the interplay between the development of nanoscale building blocks, product design, process design, and value chain integration is identified. A suggestion is made for an R&D model combining market pull and technology push as a way to quickly exploit the advantages in nanotechnology and translate these into customer benefits. 相似文献