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排序方式: 共有165条查询结果,搜索用时 15 毫秒
1.
David Fuks Dina Shapiro Arnold Kiv Vyacheslav Golovanov Chung‐Chiun Liu 《International journal of quantum chemistry》2011,111(9):1902-1906
A slab approach in the framework of ab initio calculations was applied to study surface electronic states in In2O3 crystal. Density functional theory (DFT) calculations were carried out employing the WIEN 2k code and using the full potential method with Augmented Plane Waves + local orbitals (APW+lo) formalism. Total and partial DOS (Density of States) were calculated for In and O atoms in two upper (110) surface layers. Comparison of total and partial DOS allowed determining a contribution of electronic states of different In and O surface atoms into formation of surface electronic spectra and corresponding chemical bonds. A dominant ionic character of chemical bonds in In2O3 is found. Calculations were performed for three slab models with different geometry parameters. It was shown that an optimal ratio between the whole vertical size of a supercell and the vertical size of atomic cluster has to be chosen. The size of vacuum region in the slab model influences significantly on the reliability of calculated characteristics of the surface electronic structure. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011 相似文献
2.
The control of flow in a tundish is important for improving the quality of the steel. Dams, Wiers and Pouring chamber are some of the devices used for controlling the flow in the tundish. The investigation about the role of electromagnetic forces as a replacement for these devices is an objective for the present work. Thus, 3-D MHD simulation was performed to study the effect of electromagnetic forces on flow behaviour in the tundish. The MHD model developed for carrying out the simulation was validated with the analytical solution of the Hartman problem. The results obtained shows improvement in the desired characteristics for inclusion flotataion with magnetic flow modifier of optimum strength of magnetic field. 相似文献
3.
该文针对我国高速铁路轨道板缺陷的非接触动态检测问题,研究了空气耦合超声兰姆波在轨道板中的传播规律。首先,给出了轨道板中超声兰姆波的相速度和群速度频散曲线,结果表明:随着频厚积的增加,频散现象越明显,并且A0相速度收敛于Rayleigh波的波速。然后,建立轨道板中波传播的有限元模型,计算得到兰姆波传播的群速度为2220 m/s,且二维傅里叶变换系数的较大值沿Rayleigh波的频散曲线分布。最后,在沪杭高铁嘉兴南站进行了现场测试,以8.8°倾斜角向轨道板激励产生超声兰姆波,激发产生的兰姆波模态群速度为2325 m/s,且二维傅里叶变换分析其系数的较大值沿Rayleigh波的频散曲线分布。有限元计算结果和实验结果均与理论计算结果一致。该研究为后续轨道板缺陷的非接触动态检测提供了理论依据和实验方法。 相似文献
4.
采用等离子体平板模型和三维天线模型数值模拟了托卡马克中ICRH天线与等离子体的耦合过程, 模拟结果表明在其它实验条件相同的条件下,与反对称电流和馈线端长度短的天线相比,对称电流分布和馈线端长度长的发射天线可获得更有效的功率耦合。 相似文献
5.
6.
High peak power Nd:YAG laser pumped by 600-W diode laser stack 总被引:1,自引:0,他引:1
The Q-switched laser with triangle slab made of Nd:YAG crystal side pumped by 600-W quasi-cw diode laser stack has been designed. The multimode (M2≈2.6) output energy of about 42 mJ was demonstrated in free running mode for110-mJ pump energy. In Q-switch experiments, the KDDP Pockels cell was placed between the slab and rear mirror in plane-plane cavity with output coupler of 84% transmission. The energy of 8 mJ in 2.1-ns pulse duration was obtained for near TEM00 output beam. For passive Q-switching by means of Cr:YAG crystal of 12.6% unsaturated transmission, the energy of 5.1 mJ in 2.5-ns pulse duration was obtained for output beam close to TEM00 mode. 相似文献
7.
About some physical mechanisms of statistics of radiation-induced effects formation and non-linear cell response in low dose area 总被引:1,自引:0,他引:1
A new cascade-stochastic approach to solve the direct and inverse problems of radiation-induced effect statistics in track biodetectors is presented in this paper. The analysis of the experimental data has made it possible to establish a non-linear nature of the “dose–effect” dependence in low dose area. For the first time, a new determination of the relative biological efficiency and quality coefficient of ionizing radiation in area of low doses are proposed. 相似文献
8.
The automatic image analysis system for scanning solid state nuclear track detectors is designed by utilizing a microdensitometer. The control of the entire system as well as the data analysis are accomplished with the IBM PC computer equipped with a FrameGrabber. The system counts the number of tracks and measures their geometrical parameters. The usage of the system is illustrated by counting rhombic tracks in mica detectors which were used for the investigation of the fusion–fission reaction 12C+ 208Pb. 相似文献
9.
Hiroki Hotta Kazuya Tatsuno Yoji Hattori Takuya Hashimoto Masayuki Uehara Kin-ichi Tsunoda 《Electrochemistry communications》2008,10(9):1351-1354
The H+ concentration change was monitored near an electrode surface through an electrolysis using a slab optical waveguide technique. Indium tin oxide transparent electrode modified by porous insulating polymer to which methyl red was covalently immobilized was used as a guiding layer, and the absorbance change of the polymer film was monitored. H+ generation at the vicinity of the electrode through the oxidation of ascorbic acid could be monitored by this technique. 相似文献
10.
The registration properties of PTFE-E (F-40, Russia; Tefzel, DuPont, USA; Hostaflon ET, Germany) having exceptional chemical and thermal (about 300°C) resistance are considered. The polymer samples were irradiated with ions in a wide region of masses (from O up to Xe) and energies (from 1 to 6 MeV/amu). Alkaline KMnO4 solutions at 100°C were used for etching. It is shown that the polymer registration properties depend on the hydrogen content in the polymer. For a copolymer with 2–3 wt% of hydrogen the registration threshold is about 8 MeVcm2/mg. The ion tracks were not found after chemical etching for a copolymer with 1 wt% of hydrogen. Track membranes were produced and examined. 相似文献