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61.
采用密度泛函方法(B3P86)对 Fe_2分子结构进行了优化.计算结果中未观察到自旋污染,基态波函数与高态波函数并未混杂,结果表明,Fe_2中有8个未配对电子,这些电子空间分布不同和自旋平行产生的自旋极化效应,使 Fe_2能量最低.计算结果表明,Fe_2分子的基态是~9∑_g~ ,并非~7Δ_u,进而表明 Fe_2的自旋平行效应比电子自旋配对效应要强.计算得到该分子基态的二阶、三阶和四阶力常数分别为1.4115×10~(-2)aJ/nm~2、-37.1751×10~3aJ/nm~3和 98.7596×10~4aJ/nm~4;光谱数据ω_eχ_e、B_e、α_e分别为0.3522、0.0345、 0.4963×10~(-4)cm~(-1);离解能为3.5522eV,平衡键长为0.2137nm,振动频率为292.914cm~(-1);并得到了 Murrel-Sorbie 函数. 相似文献
62.
63.
M I Salema A P B Póvoa A Q Novais 《The Journal of the Operational Research Society》2006,57(6):615-629
In this paper, an MILP formulation is proposed for the design of a reverse logistics network based on a warehouse location–allocation model, which optimizes, simultaneously, the forward and reverse networks. A single product model with unlimited capacity is first defined. Subsequently, the model is extended to a multi-product capacitated recovery network model, where capacity limitations and a multi-product system can be considered. The proposed model is compared to published work in the field, where different model assumptions have been proposed. Two cases are described so as to gain a better insight into the model and allow a comparative analysis. 相似文献
64.
Electroactive conducting polymers for corrosion control 总被引:1,自引:0,他引:1
Dennis E. Tallman Geoff Spinks Anton Dominis Gordon G. Wallace 《Journal of Solid State Electrochemistry》2002,6(2):73-84
There is an intensive effort underway to develop new corrosion control coatings for structural metals. In part, this effort
has been motivated by the desire to replace chromium(VI)-containing coatings currently used for corrosion control of iron
and aluminum alloys. Cr(VI) has been shown to be hazardous to the environmental and to human health, and its use in many countries
will be sharply curtailed in the coming years. Electroactive conducting polymers (ECPs) represent a class of interesting materials
currently being explored for use in corrosion control coating systems, possibly as a replacement for Cr(VI)-based coatings.
The electroactivity and the electronic conductivity (or semiconductivity) of ECPs set them apart from traditional organic
coatings. As with chromate, interesting and potentially beneficial interactions of ECPs with active metal alloys such as steel
and aluminum are anticipated, with concomitant alteration of their corrosion behavior. A review of this active research area
will be presented in two parts. Here in Part 1, a general introduction to the topic of corrosion control by ECPs will be presented,
including an overview of corrosion and its control by traditional methods, an introduction to ECPs and their properties, and
a discussion of the processing issues surrounding the use of ECPs as coatings. Part 1 also includes a review of the literature
on the use of ECPs as coatings (or components of coatings) on non-ferrous active metals, principally aluminum and aluminum
alloys, although some work on zinc, copper, silver, titanium and silicon will also be described. In Part 2 of this review
(to be published in the next issue of this journal), the rather extensive literature on the use of ECPs for the corrosion
control of ferrous alloys (steels) will be reviewed.
Electronic Publication 相似文献
65.
Data Envelopment Analysis (DEA) offers a piece-wise linear approximation of the production frontier. The approximation tends to be poor if the true frontier is not concave, eg in case of economies of scale or of specialisation. To improve the flexibility of the DEA frontier and to gain in empirical fit, we propose to extend DEA towards a more general piece-wise quadratic approximation, called Quadratic Data Envelopment Analysis (QDEA). We show that QDEA gives statistically consistent estimates for all production frontiers with bounded Hessian eigenvalues. Our Monte-Carlo simulations suggest that QDEA can substantially improve efficiency estimation in finite samples relative to standard DEA models. 相似文献
66.
Zygmunt Bak 《Czechoslovak Journal of Physics》2002,52(1):A25-A28
We consider RKKY interaction in a quasi 2D system with nonparabolic dispersion. In our paper we calculate the RKKY range function assuming the in-layer confinement via effective dimensionality approach. We show, that indirect magnetic exchange in our system can be modelled by the effective spectral dimension which equals one. 相似文献
67.
一种利用电光效应测量微小转角的新方法 总被引:4,自引:1,他引:3
利用线性电光效应发展出一种新的、高准确度的微小转角测量法.根据W.L. She等人提出的线性电光效应耦合波理论,求得出射光强与入射光强比值(即出射率)对入射光方向的依赖曲线,利用该曲线,通过测量出射率可以确定入射光的方向.并根据此原理,设计了一套简单的装置,该装置可以测量出物体微小转角的变化量,同时测量范围及准确度都可通过外加电场和入射光波长加以调节.对此微小转角测量法作了理论分析,在LiNbO3器件上,得到测量范围大于3′,准确度为3.5″的设计结果. 相似文献
68.
69.
Graham Smith 《The Journal of the Operational Research Society》1989,40(9):761-770
Courses which teach discrete-event simulation are based on many different simulation languages. The requirements for a language to support teaching simulation are discussed. In particular, it is recommended that such languages separate into distinct modules those aspects of simulation which are taught as separate topics. Implementation of the separation is discussed. The SEESIM language, developed as a teaching aid, is described, and examples of its use are given. Straightforward use of SEESIM can be learned quickly, yet the language provides facilities for a staged introduction to advanced concepts of simulation. 相似文献
70.