Au/SiO2纳米多层薄膜的制备及其性质表征

利用多靶磁控溅射技术制备了Au/SiO₂纳米颗粒分散氧化物多层复合薄膜.研究了在保持Au单层颗粒膜沉积时间一定时薄膜厚度一定、变化SiO₂的沉积时间及SiO₂的沉积时间一定而改变薄膜厚度时，多层薄膜在薄膜厚度方向的微观结构对吸收光谱的影响.研究结果表明：具有纳米层状结构的Au/SiO₂多层薄膜在560 nm波长附近有明显的表面等离子共振吸收峰，吸收峰的强度随Au颗粒的浓度增加而增强，在Au颗粒浓度相同的情况下，复合薄膜 关键词： 2纳米复合薄膜')" href="#">Au/SiO₂纳米复合薄膜 多靶磁控溅射 吸收光谱 有效介质理论     

VOn±(n=0,1,2)的势能函数与光谱常数研究

用密度泛函B3LYP/6-311++G(d,p)方法和相对论有效实势(Lanl2dz基组)对VO^n±(n=0,1,2)分子离子的势能函数及光谱常数进行了分析. 结果表明它们都能稳定存在, 其基态电子状态分别是:⁴Σ(VO^2-), ³Σ(VO^-), ⁴Σ(VO), ³Σ(VO⁺)和²Σ(VO²⁺). 其中VO^2-和VO²⁺的势能函数曲线呈“火山口”型, 属于亚稳态分子离子. 用七参数Murell-Sorbie势拟合VO^2-和VO²⁺分子亚稳态双原子分子离子势能函数, 发现其拟合曲线与势能函数曲线符合得很好. 同时,讨论了电荷对势能函数和能级的影响. 关键词： 分子离子 密度泛函理论 势能函数 能级     

钐(Ⅱ)类卡宾CH_3SmCH_2X(X=Cl、Br和Ⅰ)促进乙烯环丙烷化反应途径的理论研究(英文)

用密度泛函B3LYP方法研究了过渡金属钐类卡宾与乙烯的环丙烷化反应的机理。对三种不同的钐的SS试剂CH_3SmCH_2X(其中X=Cl、Br和Ⅰ)分别和CH_2CH_2反应的各反应物、中间体、过渡态和产物构型的全部结构几何参数进行了优化,用内禀反应坐标(IRC)计算和频率分析方法,对过渡态进行了验证。结果表明：CH_3SmCH_2X(其中X=Cl、Br和Ⅰ)与CH_2CH_2环丙烷化反应按亚甲基转移通道(通道A)和卡宾金属化通道(通道B)都可以进行,与锂类卡宾的反应机理相同,只是按亚甲基转移通道(通道A)进行反应较容易一些,而且此反应在较低的温度下就可以发生。     

On the S-procedure and Some Variants

We give a concise review and extension of S-procedure that is an instrumental tool in control theory and robust optimization analysis. We also discuss the approximate S-Lemma as well as its applications in robust optimization.The many suggestions and detailed corrections of an anonymous referee are gratefully acknowledged.     

Al12N、Al12B团簇结构和电子性质的密度泛函计算

利用密度泛函理论研究了Al12N和Al12B团簇的原子结构和电子性质,通过各种异构体的比较,发现两种掺杂团簇的最低能量结构都是完好的二十面体(Ih)结构,N(B)原子占据在二十面体的中心.高对称性团簇形成稀疏离散的电子态密度和大的电子能隙.在Al-N之间发生较大的电荷转移.因此我们建议把Al12N团簇看作是碱金属超原子,Al12B团簇看作是卤素超原子,用来构造团簇组装固体.     

市场竞争与国有企业所有权安排

改进了张维迎对地区间竞争与国有企业民营化的分析,给出了经营者的剩余索取份额对竞争性的连续依赖关系:国有企业若要降低成本,就必须参与市场竞争,随着市场竞争的加强,国有企业经营者的剩余索取份额应该逐渐增大,而当市场竞争水平超过某一阈值,国有企业经营者拥有全部剩余索取权是最优的.     

On the Evaluation of Uncertain Courses of Action

We consider the problem of decision making under uncertainty. The fuzzy measure is introduced as a general way of representing available information about the uncertainty. It is noted that generally in uncertain environments the problem of comparing alternative courses of action is difficult because of the multiplicity of possible outcomes for any action. One approach is to convert this multiplicity of possible of outcomes associated with an alternative into a single value using a valuation function. We describe various ways of providing a valuation function when the uncertainty is represented using a fuzzy measure. We then specialize these valuation functions to the cases of probabilistic and possibilistic uncertainty.     

Quintessence and Dark Matter Created by Weyl–Dirac Geometry

A spatially closed universe undergoing at present accelerated expansion, having a non-vanishing cosmological constant, and filled with luminous- and dark matter is described in terms of the Integrable Weyl–Dirac theory. It is shown that, during the dust-dominated period, dark matter and the quintessence pressure, the latter giving rise to acceleration: both are created by the Dirac gauge function. The behavior of two models: a nearly flat one and a well closed are considered in appropriate gauges, and plausible scenarios are obtained. The outcome of the present paper, together with results of a previous work,⁽³¹⁾ provide a geometrically based, classical, singularity-free model of the universe, that has originated from a pure geometric Weyl–Dirac entity, passed a prematter period, the radiation-dominated era, and continues its development in the present dust period.     

A linearized vector radiative transfer model for atmospheric trace gas retrieval

We present a plane parallel radiative transfer model for polarized light, that provides the intensity vector as well as the derivatives of the four Stokes parameters with respect to atmospheric trace gas profiles. These derivatives are essential for retrieval of height resolved trace gas information from satellite measurements of backscattered sunlight. The model uses the Gauss-Seidel iteration technique for solving the radiative transfer equation. For the first time, the forward-adjoint radiative perturbation theory is applied for the linearization of a radiative transfer model including polarization. The accuracy of the model is better than 0.025% for all four Stokes parameters and better than 0.03% for the derivatives.     

二阶非线性微分方程的斜周期边值问题

In this paper a uniqueness theorem for a skewperiodic boundary value problem is obtained. By using the optimal control method, we derive the best estimate for the integration mean ensuring that the results hold.