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981.
The existence and semiclassical limit of the solution to one-dimensional transient quantum drift-diffusion model in semiconductor
simulation are discussed. Besides the proof of existence of the weak solution, it is also obtained that the semiclassical
limit of this solution solves the classical drift-diffusion model. The key estimates rest on the entropy inequalities derived
from separation of quantum quasi-Fermi level. 相似文献
982.
983.
A three-dimensional Ising-like model doped with anti-ferromagnetic (AFM) bonds is proposed to investigate the magnetic properties
of a doped triangular spin-chain system by using a Monte-Carlo simulation. The simulated results indicate that a steplike
magnetization behavior is very sensitive to the concentration of AFM bonds. A low concentration of AFM bonds can suppress
the stepwise behavior considerably, in accordance with doping experiments on Ca3Co2O6. The analysis of spin snapshots demonstrates that the AFM bond doping not only breaks the ferromagnetic ordered linear spin
chains along the hexagonal c-axis but also has a great influence upon the spin configuration in the ab-plane.
相似文献
984.
985.
986.
Cheng Lu ZHANG Xiao Lei ZHU Ying Ge MA Li Wei ZOU 《中国化学快报》2006,17(2):163-164
12-Hydroxy-13-methylpodocarpa-9, 11, 13-trien-3-one 9 was isolated from the twigs ofCroton salutaris1. Many diterpenes exhibit significant bioactivities, such as antibac-terial and antitumour and 9 has a rare structure. In order to study the relationshipb… 相似文献
987.
This paper presents a variational inequality (VI) approach to the problem of minimizing a sum of p-norms. First the original problem is reformulated as an equivalent linear VI. Then an improved extra-gradient method is presented
to solve the linear VI. Applications to the problem of p-norm Steiner Minimum Trees (SMT) shows that the proposed method is effective. Comparison with the general extra-gradient
method is also provided to show the improvements of the new method. 相似文献
988.
Xiujie Li Weiping Zhang Shenglin Liu Xiuwen Han Longya Xu Xinhe Bao 《Journal of molecular catalysis. A, Chemical》2006,250(1-2):94-99
The interfacial interaction of Mo species with the HBeta zeolite was studied by multinuclear MAS NMR, XRD and N2 adsorption. As proved by the quantitative 27Al MAS NMR, this interaction is so strong as to dealuminate the framework of HBeta, and leads to a new peak appearing at −14 ppm, which indicates the formation of crystalline Al2(MoO4)3. This can also be detected by XRD measurements when the Mo loading is as high as 9.0 wt.%. The corresponding quantitative 29Si and 1H MAS NMR spectra show that the amount of silanols and Brønsted acidic sites decrease obviously with increasing Mo loading. This also reveals an interaction between Mo species and HBeta support through an oxygen bridge resulting from condensation with the hydroxyls on the support. At higher Mo loadings, the interaction is so strong that it results in an extraction of aluminum from the zeolite framework, and subsequently appearance of Al2(MoO4)3 and loss of Brønsted acidic sites. These can be correlated to the low catalytic activity of Mo/HBeta in metathesis of ethylene and 2-butylene to propylene. 相似文献
989.
Li‐Ming Tang Yan‐Guo Li Wei‐Ping Ye Yue‐Sheng Li 《Journal of polymer science. Part A, Polymer chemistry》2006,44(20):5846-5854
Ethylene–propylene copolymerization, using [(Ph)NC(R2)CHC(R1)O]2TiCl2 (R1 = CF3, Ph, or t‐Bu; R2 = CH3 or CF3) titanium complexes activated with modified methylaluminoxane as a cocatalyst, was investigated. High‐molecular‐weight ethylene–propylene copolymers with relatively narrow molecular weight distributions and a broad range of chemical compositions were obtained. Substituents R1 and R2 influenced the copolymerization behavior, including the copolymerization activity, methylene sequence distribution, molecular weight, and polydispersity. With small steric hindrance at R1 and R2, one complex (R1 = CF3; R2 = CH3) displayed high catalytic activity and produced copolymers with high propylene incorporation but low molecular weight. The microstructures of the copolymers were analyzed with 13C NMR to determine the methylene sequence distribution and number‐average sequence lengths of uninterrupted methylene carbons. © 2006 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 5846–5854, 2006 相似文献
990.
Polyphenylsilsesquioxane (PPSQ) was incorporated into an epoxy resin to prepare organic–inorganic composites, and two strategies were adopted to afford composites with different morphologies. Phase separation induced by polymerization occurred in the physical blending system. However, nanostructured composites were obtained when a catalytic amount of aluminum triacetylacetonate was added to mediate the reaction between PPSQ and diglycidyl ether of bisphenol A (DGEBA). The intercomponent reaction significantly suppressed the phase separation on the micrometer scale. Organic–inorganic composites with different morphologies displayed quite different thermomechanical properties. Both differential scanning calorimetry and dynamic mechanical analysis showed that the nanostructured composites possessed higher glass‐transition temperatures than the phase‐separated composites with the same loading of PPSQ, although the intercomponent reaction between PPSQ and DGEBA reduced the crosslinking density of the epoxy matrix. This result was ascribed to the presence of nanosized PPSQ domains in the nanostructured composites, which acted as physical crosslinking sites and thus reinforced the epoxy networks. The nanoreinforcement of the PPSQ domains afforded the enhanced dynamic storage modulus for the nanostructured composites in comparison with the phase‐separated composites with a PPSQ concentration less than 15 wt %. In terms of thermogravimetric analysis, the organic–inorganic composites displayed improved thermal stability and flame retardancy. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 1093–1105, 2006 相似文献