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51.
Recently, we have developed a new tight-binding quantum chemical molecular dynamics program “Colors” for combinatorial computational chemistry approach. This methodology is based on our original tight-binding approximation and realized over 5000 times acceleration compared to the conventional first-principles molecular dynamics method. In the present study, we applied our new program to the simulations on various realistic large-scale models of the automotive three-way catalysts, ultrafine Pt particle/CeO2(111) support. Significant electron transfer from the Pt particle to the CeO2(111) surface was observed and it was found to strongly depend on the size of the Pt particle. Furthermore, our simulation results suggest that the reduction of the Ce atom due to the electron transfer from the Pt particle to the CeO2 surface is a main reason for the strong interaction of the Pt particle and CeO2(111) support. 相似文献
52.
Heat transfer in a resist-coated silicon wafer using a bake process is theoretically evaluated by modeling the three-dimensional diffusion process, focusing on the controllability of the lithographic performance of chemically amplified resists. Six models of various ambient conditions are used. The proximity gap between the hotplate and the wafer is found to have a dominant influence on the heat transfer process for the whole system. Because the atmosphere near the wafer acts as a thermal diffusion buffer layer, no temperature gradient occurs in the resist, even when it is subjected to convective heat transfer from the resist surface. Experimental results obtained by X-ray lithography confirm the calculation results. 相似文献
53.
54.
c轴定向氮化铝薄膜的制备 总被引:3,自引:0,他引:3
利用电子回旋共振 (ECR)微波增强化学气相沉积法 (PECVD)并使用氮气 (N2 ) ,氩气 (Ar)和AlCl3蒸气作为气源在直径为 6 .35cm的 (10 0 )单晶硅片表面制备了c轴定向氮化铝 (AlN)薄膜 ,并使用X射线衍射仪及其X射线特征能谱和扫描电镜 (SEM)分析了薄膜特征 ,研究了微波功率、基板温度和N2 流量对薄膜c轴定向的影响 ,得到了c轴偏差角小于 5°的高质量大面积AlN薄膜。 相似文献
55.
Guido Momerency Karel Van Cauwenberghe Ernst A. De Bruijn Allan T. Van Oosterom Martin S. Highley Peter G. Harper 《Journal of separation science》1994,17(9):655-661
A method is described for the determination of the antitumor agent iphosphamide and seven of its metabolites in the plasma of cancer patients by multiple ion monitoring (MIM) GC-MS, mainly using the electron capture chemical ionization mode, of stable methyl and/or trifluoroacetyl derivatives. The metabolites determined were 2- and 3-dechloroethyliphosphamide, 4-ketoiphosphamide, carboxyiphosphamide, iphosphamide mustard, and two previously undetected metabolites, chloroethylamine and 1,3-oxazolidine-2-one. The isolation of the acidic and neutral metabolites was performed by solid phase extraction on to C18 adsorbent at pH 4. The weakly acidic iphosphamide mustard, isolated under these conditions with a yield of ca 50%, was measured as a stable methyltrifluoroacetyl derivative, in contrast to the corresponding phosphoramide mustard of the isomer cyclophosphamide which decomposes during derivatization. Chloroethylamine and 1,3-oxazolidine-2-one were isolated with high yield by liquid extraction with ethyl acetate at pH 10. Selective measurement of several metabolite derivatives with similar retention times was performed by multiple ion monitoring MS of specific ion masses, using a methyl phenyl siloxane capillary column previously employed in the study of cyclophosphamide metabolites. Quantitation of metabolites in patient plasma samples could be performed in the concentration range 3 ng to 20 μg per ml of original plasma. 相似文献
56.
In this paper, oscillatory properties of solutions of certain hyperbolic partial differential equations with multi-delays are investigated and a series of sufficient conditions for oscillations of the equations are established. The results fully indicate that the oscillations are caused by delays. 相似文献
57.
谢家麟 庄杰佳 黄永章 张令翊 林绍波 赵春农 李立华 吴钢 王钢 李承泽 傅恩生 苏憬 钟元元 王言山 李永贵 应润杰 杨学平 李有猛 韩斌 吴庆武 张玉珍 潘卫民 王建伟 张黎文 郭康柱 畅祥云 李亚南 戴立盛 徐金强 陆辉华 汪伯嗣 任廉重 田瑞生 《中国物理 C》1994,18(8):763-768
北京自由电子激光(BFEL)装置于1993年底在10.68μm处实现了饱和振荡.输出激光能量为3mJ,饱和平顶宽度2μs.对应饱和振荡平均功率为210kW(宏脉冲),峰值功率约为20MW,比自发辐射高8个量级,单程小讯号净增益为24%,转换效率为0.45%,与理论预期结果相符.光束质量接近衍射极限.目前装置可工作于9-11μm. 相似文献
58.
本文将文献[9]提出改进的通量分裂方法,应用于随时间变化的贴体网格中,建立了可用于求解非定常Euler方程的通量分裂方法.该方法是以连续的特征值分离为基础,它具有方法简单,便于推广使用的特点.同时克服了Steger-Warming通量分裂方法存在的问题.对通量分裂后的Euler方程.利用MUSCL型迎风差分建立了具有二阶精度的有限体积方程.文中以NACA64A—10翼型为例,对其在跨音速流场中进行沉浮、俯仰及带有振动控制面引起的非定常气动载荷进行了计算.部分计算结果与相应的实验结果进行了比较,吻合良好 相似文献
59.
Studies on the properties of flow-induced oscillation and sound radiation in streamlined protuberant special cavities 总被引:1,自引:0,他引:1
I.IntroductionAsanuidpassingthroughthecavityatcertainflowrate,themediuminthemouthandthccavityisoscillatingandsoundisradiated.Noton1ystochasticturbu1encenoiscispossi-blyproducedbutsinglefrequencysoundofspecia1lydesignatedpitchisalsoproduced.Andthusthespcctrumofthcradiatedsoundisshownascontinuousspectrumandcharacteristiclinespcctrum.Inthiscascwcmaycallitflow-inducedosci1lation.Flow-inducedoscillationandsoundradiationcanbeproducedasafluid(waterorgas)passingthroughthecavitybysinkingcavityunderint… 相似文献
60.
ZhengBin Zhang Chunying Liu Peifeng Li Zhenzhen Wu Cai Lin Huawei Huang Lei Xing Liansheng Liu 《Frontiers of Chemistry in China》2006,1(1):86-97
Many food algae and red tide algae were cultivated in the f/2 medium, and the nitric oxide (NO) concentration of the medium
and the cell density were determined. The experiments on algae were conducted when different concentrations of NO were added
into the medium using two methods. The results show that low concentrations of NO were self-produced by marine algae during
the exponential growth period and were about nmol/L level. But at the end of the period, i.e., 2 or 3 days before the cell
density reaches the maximum, an NO peak appeared, with the NO concentration reaching 10 nmol/L. The NO threshold concentration
exists according to the influence of exogenous NO on the marine phytoplankton growth. One type is the threshold concentration
that can promote algae growth, and its value is between 10 and 1 nmol level, or even lower. The other type can inhibit the
phytoplankton growth, which is about μmol level or higher. The results indicate that red tide algae are far more sensitive
to NO than are food algae. The fundamental experimental outcome above may provide a new clue for red tide chemical forecast
by inspecting the NO change. 相似文献