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31.
Double Michael additions of lithium enolaie of 1,4-dioxaspiro[4.5]dec-6-en-8-one to four acrylates afforded bicyclo[2.2.2]octan-2-ones with high regio- and stereoselectivities in moderate yields. 相似文献
32.
固体力学有限元体系的结构拓扑变化理论 总被引:2,自引:1,他引:1
本文是文[1]的继续.文[1]提出了杆件系统的结构拓扑变化理论和拓扑变化法本文将这一理论和方法推进到连续体有限元体系;且在此基础上揭示出有限元体系的一个新性质,称为基本位移之梯度的正交性定理,从而给出一套设计敏度的显式表达式,可直接用于计算. 相似文献
33.
采用基于第一性原理的密度泛函理论研究了四角晶相二氧化铪(t-HfO2)体相及 其(001)表面的原子几何与电子结构.理论计算结果表明,t-HfO2(001)表面不会 产生重构现象.与体相电子结构相比, t-HfO2(001)表面态密度明显高于体相态 密度.其次,表面原子的态密度更靠近费米能级(EF),价带往低能量处移动,并 有表面态产生.计算结果表明了t-HfO2表面禁带宽度明显低于体相的禁带宽度. t-HfO2(001)的表面态产生以及表面禁带宽度减小是由于Hf原子与O原子的配位 数减少,表面原子周围的环境发生变化而引起的.
关键词:
密度泛函理论
2(001)')" href="#">t-HfO2(001)
表面电子结构 相似文献
34.
通过建立具有平面近横向各向异性场的非晶态合金薄带及膜的磁畴结构模型,利用线性化Maxwell方程组及Landau-Lifshitz方程,推出了在高频交变磁场及外加面内轴向直流磁场Hex作用下的铁磁材料的与取向相关的磁导率表达式,得到了对方位角平均的相对磁导率及阻抗的计算式,导出了磁导率与张量磁化率分量间的关系,对材料磁导率的实部及虚部随Hex的变化进行了计算,并给出了对应的磁谱图.建立的磁导率与外磁场的理论关系可将Panina及Kraus给出的理论结果统一起来.
关键词:
非晶态合金薄带及膜
取向相关磁导率
GMI效应理论与计算
近横向各向异性场 相似文献
35.
36.
We employ a first-principles plane wave method with the
relativistic analytic pseudopotential of Hartwigsen, Goedecker and Hutter
(HGH) scheme in the frame of DFT to calculate
the equilibrium lattice parameters and the thermodynamic properties of
AlB2 compound with hcp structure. The obtained lattice parameters are in
good agreement with the available experimental data and those calculated by
others. Through the quasi-harmonic Debye model, obtained successfully are
the dependences of the
normalized lattice parameters a/a0 and c/c0 on pressure P, the normalized
primitive cell volume V/V0 on pressure P, the variation of the thermal
expansion α with pressure P and temperature T, as well as the Debye
temperature \ThetaD and the heat capacity CV on pressure P and
temperature T. 相似文献
37.
Second-order random wave solutions for interfacial internal waves in N-layer density-stratified fluid 下载免费PDF全文
This paper studies the random internal wave equations describing the density interface displacements and the velocity potentials of N-layer stratified fluid contained between two rigid walls at the top and bottom. The density interface displacements and the velocity potentials were solved to the second-order by an expansion approach used by Longuet-Higgins (1963) and Dean (1979) in the study of random surface waves and by Song (2004) in the study of second- order random wave solutions for internal waves in a two-layer fluid. The obtained results indicate that the first-order solutions are a linear superposition of many wave components with different amplitudes, wave numbers and frequencies, and that the amplitudes of first-order wave components with the same wave numbers and frequencies between the adjacent density interfaces are modulated by each other. They also show that the second-order solutions consist of two parts: the first one is the first-order solutions, and the second one is the solutions of the second-order asymptotic equations, which describe the second-order nonlinear modification and the second-order wave-wave interactions not only among the wave components on same density interfaces but also among the wave components between the adjacent density interfaces. Both the first-order and second-order solutions depend on the density and depth of each layer. It is also deduced that the results of the present work include those derived by Song (2004) for second-order random wave solutions for internal waves in a two-layer fluid as a particular case. 相似文献
38.
High index of refraction via quantum interference in a three-level system of Er^3+-doped yttrium aluminium garnet crystal 下载免费PDF全文
A simple three-level system is proposed to produce high index of refraction with zero absorption in an Er^3+-doped yttrium aluminium garnet (YAG) crystal, which is achieved for a probe field between the excited state 4I13/2 and ground state 4I15/2 by adjusting a strong coherent driving field between the upper excited state 4I11/2 and 4I15/2. It is found that the changes of the frequency of the coherent driving field and the concentration of Er^3+ ions in the YAG crystal can maximize the index of refraction accompanied by vanishing absorption. This result could be useful for the dispersion compensation in fibre communication, laser particle acceleration, high precision magnetometry and so on. 相似文献
39.
Zhong-Qing Wang 《Journal of Mathematical Analysis and Applications》2002,274(1):374-403
An orthogonal system of rational functions is discussed. Some inverse inequalities, imbedding inequalities and approximation results are obtained. Two model problems are considered. The stabilities and convergences of proposed rational spectral schemes and rational pseudospectral schemes are proved. The techniques used in this paper are also applicable to other problems on the whole line. Numerical results show the efficiency of this approach. 相似文献
40.
Recursive algorithms for the computation of standard deviation and average deviation are derived and their applications in data acquisition are discussed. The relative speeds and accuracies of the two algorithms are compared for synthetic data. The performance of recursive estimation under shot and proportional noise limitations is also described. As an example of the utility of these algorithms, absorbance data with constant confidence intervals are collected regardless of incident and transmitted intensities. The desired precision is specified prior to data acquisition and used to control signal-averaging of the data in real time. 相似文献