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This article presents a fast algorithm for the efficient solution of the Helmholtz equation. The method is based on the translation theory of the multipole expansions. Here, the speedup comes from the convolution nature of the translation operators, which can be evaluated rapidly using fast Fourier transform algorithms. Also, the computations of the translation operators are accelerated by using the recursive formulas developed recently by Gumerov and Duraiswami [SIAM J. Sci. Comput. 25, 1344-1381(2003)]. It is demonstrated that the algorithm can produce good accuracy with a relatively low order of expansion. Efficiency analyses of the algorithm reveal that it has computational complexities of O(Na), where a ranges from 1.05 to 1.24. However, this method requires substantially more memory to store the translation operators as compared to the fast multipole method. Hence, despite its simplicity in implementation, this memory requirement issue may limit the application of this algorithm to solving very large-scale problems. 相似文献
43.
In this Letter, we investigate the Si/SiO(2) interface structure formed by the chemisorption of H8Si8O12 and other spherosiloxane clusters on Si(100). Using transition state calculations, we clearly demonstrate that the clusters do not bond to the Si(100) surface via single vertex attachment as proposed previously, but rather attach via Si-O bond cleavage. This alternative cracked cluster geometry allows us to predict the photoemission features of spherosiloxane clusters on Si(100) without invoking second nearest neighbor effects. 相似文献
44.
Iridium‐ and Osmium‐decorated Reduced Graphenes as Promising Catalysts for Hydrogen Evolution 下载免费PDF全文
Chee Shan Lim Prof. Zdeněk Sofer Rou Jun Toh Alex Yong Sheng Eng Jan Luxa Prof. Martin Pumera 《Chemphyschem》2015,16(9):1898-1905
Renewable energy sources are highly sought after as a result of numerous worldwide problems concerning the environment and the shortage of energy. Currently, the focus in the field is on the development of catalysts that are able to provide water splitting catalysis and energy storage for the hydrogen evolution reaction (HER). While platinum is an excellent material for HER catalysis, it is costly and rare. In this work, we investigated the electrocatalytic abilities of various graphene–metal hybrids to replace platinum for the HER. The graphene materials were doped with 4f metals, namely, iridium, osmium, platinum and rhenium, as well as 3d metals, namely, cobalt, iron and manganese. We discovered that a few hybrids, in particular iridium‐ and osmium‐doped graphenes, have the potential to become competent electrocatalysts owing to their low costs and—more importantly—to their promising electrochemical performances towards the HER. One of the more noteworthy observations of this work is the superiority of these two hybrids over MoS2, a well‐known electrocatalyst for the HER. 相似文献
45.
Plasmonic wave plate based on subwavelength nanoslits 总被引:1,自引:0,他引:1
We propose a quarter-wave plate based on nanoslits and analyze it using a semianalytical theory and simulations. The device comprises two nanoslits arranged perpendicular to one another where the phases of the fields transmitted by the nanoslits differ by λ/4. In this way, the polarization state of the incident light can be changed from linear to circular or vice versa. The plasmonic nanoslit wave plate is thin and has a subwavelength lateral extent. We show that the predictions for the phase shift obtained from a semianalytical model are in very good agreement with simulations by the finite difference time domain method. 相似文献
46.
Salzmann W Mullins T Eng J Albert M Wester R Weidemüller M Merli A Weber SM Sauer F Plewicki M Weise F Wöste L Lindinger A 《Physical review letters》2008,100(23):233003
We demonstrate the photoassociation of ultracold rubidium dimers using coherent femtosecond pulses. Starting from a cloud of ultracold rubidium atoms, electronically excited rubidium molecules are formed with shaped photoassociation pump pulses. The excited state molecules are projected with a time-delayed probe pulse onto molecular ion states which are detected in a mass spectrometer. Coherent transient oscillations of the excited state population are observed in the wings of the pump pulse, in agreement with the time-dependent solution of the Schr?dinger equation of the excitation process. 相似文献
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Larvicidal and structural studies of some triphenyl- and tricyclohexyltin para-substituted benzoates
Quyen Duong Edlira Mitrojorgji George Eng 《Journal of organometallic chemistry》2006,691(8):1775-1779
Several new triphenyl- and tricyclohexyltin para-substituted benzoates were synthesized. Their structures were characterized by IR and Mössbauer spectroscopies. The structures were determined to be four-coordinated monomers. Larvicidal activities of the new compounds as well as other benzoates were evaluated against the 2nd larval instar of the Anopheles stephensi and Aedes aegypti mosquitoes. Results from the screening studies indicated that the triphenyltin benzoates were more toxic towards the Ae. aegypti larvae. A quantitative-structure activity relationship was also developed for the An. stephensi larvae. 相似文献
50.
PREPARATION AND PROPERTIES OF CLAY/POLY(N-ISOPROPYLACRYLAMIDE-co-ACRYL AMIDE)NANOCOMPOSITE HYDROGELS
LIU Xiaoli LIU Yang Zhang WEI JIANG Yongmei GU Chunju ZHU Meifang** Adler H.J. .State Key Lab for Modification of Polymer Materials Chemical Fibers College of Material Sci.& Eng. Donghua University Shanghai China .Institute of Macromolecular Chemistry Textile Chemistry Dresden University of Technology Mommsenstr. D- Dresden Germany 《Chinese Journal of Reactive Polymers》2006,(1)
Polymer hydrogels as a kind of soft materials have attracted increasing scientific and technological interest in past several decades. These materials have been applied widely in many fields [1], such as molecular filter [2,3], superabsorbent [4], and contact lenses [5] etc. However, synthetic polymeric hydrogels are seldom used as mechanical devices due to the lack of mechanical strength. Therefore, it is very imperative to improve their mechanical properties for wider use of polymeric hydrog… 相似文献