离散加权信源与熵密度偏差的极限性质

利用熵密度偏差，研究了服从几分分布的离散加权信源的极限性质，其主要结果推广了离散信源Shannon－Mcmillan定理。     

基本上成立的概念及其应用

主要讨论了基本上成立的一些概念,并给出与这些概念相关的一些性质,同时用基本上成立的概念简述一些定理和性质的叙述、证明及它们之间的关系.     

菊糖同分异构体活性的密度泛函研究

采用密度泛函(DFT)中B3LYP方法,在6-311+G(d,p)基组水平上对葡萄糖、吡喃型果糖、呋喃型果糖、D-万寿菊糖进行了几何构型优化、频率分析、红外光谱、自然电荷布居、NBO分析、分子能量及前线轨道能级计算,推导出分子的稳定性顺序为:呋喃型果糖吡喃型果糖葡萄糖菊糖.引入概念DFT活性指数分析表明菊糖分子的化学势μ数值大、化学硬度η小、亲电指数ω大,表明了它具有特殊的活性.Fukui指数扫描表明菊糖分子中C2原子具有较大的给电子能力,是整个分子的活性中心.抗氧化能力的EBDE数值计算表明2-H最容易断裂,其数值是为94.65 kcal·mol-1,远小于它的绝热电离势,这可为解释菊糖分子的抗氧化活性做合理的理论指导.     

Superfluid density of two-dimensional weakly interacting boson system at zero temperature

We compute the superfluid density of a two-dimensional boson system with weak two-body repulsive interactions at zero temperature using one-loop perturbation theory in the weak coupling region. The boson fields are taken to be in continuum form in real space, and the interactions are approximated by a δ function of the distance between the bosons. We find that the one-loop fluctuations slightly decrease the superfluid density of a classical level. The superfluid density is approximated by the condensate density multiplied by the mass of the boson particle.     

基于样本重采样的电路非平衡数据预处理方法

针对机载设备电子电路故障状态测试数据少、整体测试数据不均衡的问题,提出了一种基于样本重采样的数据预处理方法。首先，采用超限学习机对原始数据集进行训练以挑选出分类准确的样本。然后，对其中的少数类和多数类分别采用合成少数类过采样技术(synthetic minority oversampling technique, SMOTE)进行过采样和局部密度欠采样处理;并将错误分类的多数类样本作为干扰因素进行删除。通过以上两种手段可以均衡数据集,并控制数据规模防止过拟合,提高对故障样本的检测率。实测数据处理结果表明,相比于其他重采样算法,所提算法整体效果优良且稳定,对电子电路故障诊断具有一定的应用价值。     

离子液体[C2mim]NO3与[C2mim][MetSO4]的热力学性能研究

采用MDY-2型密度仪在常压、一定温度范围内对离子液体1-乙基-3-甲基咪唑硝酸盐(简写为[C2mim]NO3)和1-乙基-3-甲基咪唑硫酸甲酯盐(简写为[C2mim][MetSO4])的密度进行了测定.结果表明,离子液体的密度随温度升高呈线性下降的趋势.由离子液体的密度值计算得到离子液体[C2mim]NO3和[C2m...     

关于改性碳酸钙性能测试方法的探讨

详细介绍了力学性能测试、松散堆积密度法、萃取法测接枝率等改性碳酸钙性能测试法。讨论发现,3种方法的测试结果完全吻合,由此可证明松散堆积密度法、萃取法测接枝率也是行之有效的测试新方法。     

Fe3O4表面逆水煤气反应的DFT研究

采用密度泛函理论（DFT）研究了Fe3O4（111）表面逆水煤气反应的机理（氧化还原机理和中间产物分解机理）。通过优化初始构型,得到了最稳定的吸附构型。对两种机理主要的基元反应活化能进行了比较,结果表明：氧化还原机理是主要的反应机理,中间产物分解机理较难发生。计算结果还表明八面体Fe原子在吸附和活化过程中起着重要作用。     

Dynamic density forecasts for multivariate asset returns

We propose a simple and flexible framework for forecasting the joint density of asset returns. The multinormal distribution is augmented with a polynomial in (time‐varying) non‐central co‐moments of assets. We estimate the coefficients of the polynomial via the method of moments for a carefully selected set of co‐moments. In an extensive empirical study, we compare the proposed model with a range of other models widely used in the literature. Employing a recently proposed as well as standard techniques to evaluate multivariate forecasts, we conclude that the augmented joint density provides highly accurate forecasts of the ‘negative tail’ of the joint distribution. Copyright © 2010 John Wiley & Sons, Ltd.     

Atomic layer deposition on Pd nanocrystals for forming Pd-TiO2 interface toward enhanced CO oxidation

Pd typically exhibits relatively low catalytic activity in CO oxidation, as CO is apt to be adsorbed on Pd to poison the surface for O2 activation. In this Letter, we report that this limitation can be overcome by integrating Pd with TiO2. The TiO2 was coated on Pd nanocubes with a controllable thickness using atomic layer deposition (ALD) method. Given the different work functions of TiO2 and Pd, the electrons in TiO2 semiconductor will flow toward Pd. With the electron density increased on Pd, the adsorption of CO to Pd will be weakened while the oxygen activation can be facilitated. Meanwhile, the interface-confined sites at Pd-TiO2 may further enhance the oxygen activation. As the species adsorption and activation are strongly correlated with electron density, the performance of Pd-TiO2 in CO oxidation turns out to depend on the TiO2 thickness, which determines the number of transferred electrons, within a certain range (<1.8 nm). This work provides a new strategy for enhancing catalytic performance through tailoring charge densities in hybrid catalysts.