Numerical differentiation of photomechanical data using smoothing spline functions with generalized boundary conditions

The smoothing spline function has been used for differentiation of photomechanical data in experimental stress analysis. However, since the available software packages use the algorithm with the so-called natural boundary conditions which are not necessarily suitable in many circumstances, errors tend to occur in both the first and second derivatives. In this paper we have modified the algorithm so that the user can have more freedom in selecting boundary conditions which suit the problem best and therefore, as a result, improve the accuracy of the analysis. Two examples are given to show the improvement achievable using the new scheme.     

Singlet-Triplet Transition in Quantum Dots Confined by Triangular and Bowl-Like Potentials： the Effect of Electric Fields

We theoretically investigate the energy spectra of two-electron two-dimensional （2e 2D） quantum dots （QDs） confined by triangular potentials and bowl-like potentials in a magnetic field by exact diagonalization in the framework of effective mass theory. An in-plane electric field is found to contribute to the singlet-triplet transition of the ground state of the 2e 2D QDs confined by triangular or bowl-like potentials in a perpendicular magnetic field. The stronger the in-plane electric field, the smaller the magnetic field for the total spin of the ground states in the dot systems to change from S = 0 to S = 1. However, the influence of an in-plane electric field on the singlettriplet transition of the ground state of two electrons in a triangular QD modulated by a perpendicular magnetic field is quite small because the triangular potential just deviates from the harmonic potential well slightly. We find that the strength of the perpendicular magnetic field needed for the spin singlet-triplet transition of the ground state of the QD confined by a bowl-like potential is reduced drastically by applying an in-plane electric field.     

加权二次有理Bézier插值曲线

在本文中,给定一组有序空间数据点列及每个数据点的切矢向量,利用加权二次有理Bézier曲线对数据点作插值曲线,使该曲线具有C1连续性,并且权因子只是对相应顶点曲线附近产生影响,同调整两个相邻的权因子可以调整这两个相邻顶点之间的曲线和它的控制多边形.     

Nonlocal vertex algebras generated by formal vertex operators

This is the first paper in a series to study vertex algebra-like objects arising from infinite-dimensional quantum groups (quantum affine algebras and Yangians). In this paper we lay the foundations for this study. For any vector space W, we study what we call quasi compatible subsets of Hom (W,W((x))) and we prove that any maximal quasi compatible subspace has a natural nonlocal (namely noncommutative) vertex algebra structure with W as a natural faithful quasi module in a certain sense, and that any quasi compatible subset generates a nonlocal vertex algebra with W as a quasi module. In particular, taking W to be a highest weight module for a quantum affine algebra we obtain a nonlocal vertex algebra with W as a quasi module. We also formulate and study a notion of quantum vertex algebra and we give general constructions of nonlocal vertex algebras, quantum vertex algebras and their modules.     

Electronic structure of the diaquabis(hydrogen malato) copper(II) crystal

Summary The electronic absorption and e.s.r. spectra of a crystal of the title compound [Cu(H₂O)₂ (C₄H₅O₅)₂] were recorded and experimental results are discussed quantitatively, using ligand field theory and the radial wave function of bound Cu^II. The electronic structure of the compound is consistent with its crystal structure.     

左消半群M与幂单半群B的Schǔzenberger积

本文讨论了每个元都有幂等元作为右单位元的左消半群与幂单半群N的Schuzenberger积M◇N的ρ类，证明了这种半群M与N的Schuzenberger积M◇N的ρ类是右E一半适合半群和弱E-headged半群．     

Effect of ion impinging on the microstructure and field emission of carbon nanotubes

Effects of ion impinging on the microstructure and field electron emission properties of screen-printed carbon nanotube films were investigated. We observed that the plasma treatment modified the microstructure of CNTs along with the remarkable increase of emission site density. With the prolongation of ion impinging time, the emission current falls down first, and then rises up to higher than that of the untreated films. It is proposed that the change of emission characteristics is due to the different emission mechanisms. After the treatment, electrons are emitted predominantly from the nano-nodes on the tube wall instead from the nanotube tips.     

Naphthalimide-thiazoles as novel photonucleases: molecular design, synthesis, and evaluation

A new family of photonucleases, naphthalimide-thiazoles was synthesized and evaluated. These compounds intercalated into DNA efficiently and damaged DNA photochemically at concentrations as low as 5 μM. Mechanistic experiment suggests that a novel naphthalimide-thiazole radical produced via an excited triple state might be involved in the DNA photodamage. Different activity may arise from the impact of substituents at 2-phenyl ring of thiazole on the electron population of excited triple state according to AM1 semi-empirical calculation.