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A parallel DSMC method based on a cell‐based data structure is developed for the efficient simulation of rarefied gas flows on PC‐clusters. Parallel computation is made by decomposing the computational domain into several subdomains. Dynamic load balancing between processors is achieved based on the number of simulation particles and the number of cells allocated in each subdomain. Adjustment of cell size is also made through mesh adaptation for the improvement of solution accuracy and the efficient usage of meshes. Applications were made for a two‐dimensional supersonic leading‐edge flow, the axi‐symmetric Rothe's nozzle, and the open hollow cylinder flare flow for validation. It was found that the present method is an efficient tool for the simulation of rarefied gas flows on PC‐based parallel machines. Copyright © 2004 John Wiley & Sons, Ltd. 相似文献
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Dong‐Cheol Shin Yun‐Hi Kim Hong You Jae Gyu Jin Soon‐Ki Kwon 《Journal of polymer science. Part A, Polymer chemistry》2004,42(22):5636-5646
A poly(p‐phenylenevinylene) (PPV) derivative containing a bulky (2,2‐diphenylvinyl)phenyl group in the side chain, EHDVP‐PPV, was synthesized by Gilch route. The reduced tolane‐bisbenzyl (TBB) defects, as well as the structure of the polymer, was confirmed by various spectroscopic methods. The intramolecular energy transfer from the (2,2‐diphenylvinyl)phenyl side group to the PPV backbone was studied by UV‐vis and photoluminescence (PL) of the obtained polymer and model compound. The polymer film showed maximum absorption and emission peaks at 454 and 546 nm, respectively, and high PL efficiency of 57%. A yellow electroluminescence (λmax = 548 nm) was obtained with intensities of 6479 cd/m2 when the light‐emitting diodes of ITO/PEDOT/EHDVP‐PPV/LiF/Al were fabricated. The maximum power efficiency of the devices was 0.729 lm/W with a turn‐on voltage of 3.6 V. © 2004 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 42: 5636–5646, 2004 相似文献
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Yong Joon Park Min Gyu KimYoung-Sik Hong Xianglan WuKwang Sun Ryu Soon Ho Chang 《Solid State Communications》2003,127(7):509-514
Li[NixLi(1/3−2x/3)Mn(2/3−x/3)]O2 (X=0.17, 0.25, 0.33, 0.5) compounds are prepared by a simple combustion method. The Rietvelt analysis shows that these compounds could be classified as having the α-NaFeO2 structure. The initial charge-discharge and irreversible capacity increases with the decrease of x in Li[NixLi(1/3−2x/3)Mn(2/3−x/3)]O2. Indeed, Li[Ni0.50Mn0.50]O2 compound shows relatively low initial discharge capacity of 200 mAh/g and large capacity loss during cycling, with Li[Ni0.17Li0.22Mn0.61]O2 and Li[Ni0.25Li0.17Mn0.58]O2 compounds exhibit high initial discharge capacity over 245 mAh/g and stable cycle performance in the voltage range of 4.8 -2.0 V. On the other hand, XANES analysis shows that the oxidation state of Ni ion reversibly changes between Ni2+ and about Ni3+, while the oxidation state of Mn ion sustains Mn4+ during charge-discharge process. This result does not agree with the previously reported ‘electrochemistry model’ of Li[NixLi(1/3−2x/3)Mn(2/3−x/3)]O2, in which Ni ion changes between Ni2+ and NI4+. Based on these results, we modified oxidation-state change of Mn and Ni ion during charge-discharge process. 相似文献
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There is a high correlation between molecular surface area (TSA) of triorganotin and triorganolead compounds and their toxicity towards a bacterium (Escherichia coli) and an alga (Selenastrum capricornutum). Parallel attempts to correlate other Group IVA organometals incorporating silicon or germanium were unsuccessful. It was further demonstrated, however, that a high correlation was obtainable between certain series of compounds with the same organic substituent but different metal centers involving all Group IVA elements. In both instances, the inability to obtain a quantitative structure-activity relationship (QSAR) for all systems studied appears to be a function of the solubility of the compounds. While organotin TSA values have been found to correlate well with their toxicities toward various organisms, this study clearly suggests that this type of QSAR can be readily extended to include other organometal systems, provided that there is no solubility problem and the toxicity is a function of the hydrophobicity of the organometal compounds. 相似文献
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The reactions of bis(trimethylstannyl)ethyne, Me3Sn–C?C–SnMe3 ( 4 ), with trimethylsilyl‐ or dimethylsilyl‐dialkylboryl‐substituted alkenes 1 – 3 afford organometallic‐substituted allenes 5 , 6 and 8 , 9 in high yield. In the case of (E)‐2‐trimethylsilyl‐3‐diethylboryl‐2‐pentene ( 1) , a butadiene derivative 7 could be detected as an intermediate prior to rearrangement into the allene. All reactions were monitored by 29Si and 119Sn NMR, and the products were characterized by an extensive NMR data set (1H, 11B, 13C, 29Si, 119Sn NMR). Copyright © 2003 John Wiley & Sons, Ltd. 相似文献
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