凸域内弦的平均长度

本文研究了凸域内弦的平均长度.通过广义支持函数与凸域的弦幂积分,建立了凸域内弦的平均长度的一般公式,并用此公式得出了圆域和矩形域内弦的平均长度.     

拟单调问题的讨论

This paper gives the necessary condition and one sufficient condition of the quasi-monotonic function, and proves that the linear fractional function is quasi-monotone.     

单位球上全纯函数空间的系数乘子

本文给出了C^n中超球B上Hardy空间H^p,Bergman空间Lα^p,Bloch空间β，Besov空间Bp及Lipschitz空间Ak^p之间的系数乘子。     

A family of skew Hadamard difference sets

In 1933 a family of skew Hadamard difference sets was described by Paley using matrix language and was called the Paley-Hadamard difference sets in the literature. During the last 70 years, no new skew Hadamard difference sets were found. It was conjectured that there are no further examples of skew Hadamard difference sets. This conjecture was proved to be true for the cyclic case in 1954, and further progress in favor of this conjecture was made in the past 50 years. However, the conjecture remains open until today. In this paper, we present a family of new perfect nonlinear (also called planar) functions, and construct a family of skew Hadamard difference sets using these perfect nonlinear functions. We show that some of the skew Hadamard difference sets presented in this paper are inequivalent to the Paley-Hadamard difference sets. These new examples of skew Hadamard difference sets discovered 70 years after the Paley construction disprove the longstanding conjecture on skew Hadamard difference sets. The class of new perfect nonlinear functions has applications in cryptography, coding theory, and combinatorics.     

Li2、LiH的激发态和Li2H的基态结构与势能函数

使用“对称性匹配簇-组态相互作用”方法,对Li2分子三重态的第一激发态、LiH分子的基态、单重态的第一和第二激发态的几何构型与谐振频率进行了优化计算.利用“群操作求和”方法分别对这4个态进行单点能扫描计算,并拟合出了相应各态的Murrell-Sorbie势能函数.使用多种方法对Li2H分子的基态结构进行优化,并用优选出的密度泛函(B3P86)方法对该分子进行了进一步的频率计算.结果发现Li2H分子的基态稳态结构为C2v构型,在此基础上用多体项展式理论导出了它的解析势能函数,其等值势能图准确再现了Li2H分子的结构特征和离解能.首次报导了该分子对称伸缩振动等值势能图中存在的两个对称鞍点,对应于反应LiH Li→Li2H,活化能大约为18.7×4.184 KJ/mol.     

随机环境下的对称零程过程的大偏差原理

利用相对熵方法及鞅方法给出了随机环境下的对称零程过程的经验测度的收敛速度函数.     

The electronic structure of the interface between thin conjugated oligomer films and inorganic substrates with different work function

In this work, a comparison of the interfacial electronic properties between a semiconducting oligomer and a variety of substrates with different properties—metal, semiconductor and oxide layers—is reported. The interface formation was studied by X-ray and Ultraviolet photoelectron spectroscopies (XPS, UPS). High purity oligomer films with thickness up to 10 nm were prepared by stepwise evaporation on the clean substrates under ultrahigh vacuum (UHV) conditions. Analysis of the oligomer and substrate related XPS spectra clarified the interfacial chemistry and band bending in the semiconducting materials. The valence band structure and the interfacial dipoles were determined by UPS. The barriers for hole injection were measured at the interfaces of the organic film with all substrates. The interfacial energy band diagrams were deduced in all cases from the combination of XPS and UPS results. Emphasis was given on the influence of the substrate work function (eΦ) on the electronic properties of these interfaces.     

Converged properties of clean metal surfaces by all-electron first-principles calculations

All-electron full-potential linearized augmented plane-wave calculations of the surface energy, work function, and interlayer spacings of close-packed metal surfaces are presented, in particular, for the free-electron-like metal surfaces, Mg(0 0 0 1) and Al(1 1 1), and for the transition metal surfaces, Ti(0 0 0 1), Cu(1 1 1), Pd(1 1 1), and Pt(1 1 1). We investigate the convergence of the surface energy as a function of the number of layers in the slab, using the Cu(1 1 1) surface as an example. The results show that the surface energy, as obtained using total energies of the slab and bulk from separate calculations, converges well with respect to the number of layers in the slab. Obviously, it is necessary that bulk and surface calculations are performed with the same high accuracy. Furthermore, we discuss the performance of the local-density and generalized gradient approximations for the exchange-correlation functional in describing the various surface properties.     

阻尼落体运动的分析力学研究

应用分析力学理论和方法,研究了两种情况下的阻尼落体运动:1)阻力大小与速度成正比;2)阻力大小与速度平方成正比.对两种运动分别给出了等效的Lagrange函数和Hamilton函数,并应用第一积分法、点变换法、正则变换法和Ham-ilton-Jacobi方程法等不同的求解方法进行了求解.     

基于扩散势能和自由体积的自扩散系数模型

在考虑自由体积和局部临界扩散势能的基础上,提出一种新的计算自扩散系数模型,并给出新模型中各个因子物理含义．同时还提出一种计算局部临界扩散势能的新方法,并应用于新模型．另外将衍生van der Waals状态方程应用于求解自由体积,式中所需径向分布函数由Morsali-Goharshadi方程得到．在相同条件下,新模型比原自由体积模型更准确．