Molecular dynamics study on the structure I helium hydrate

A 368- water molecule structure I gas hydrate, encased by the number of helium (He) molecules ranging from two to twenty-two, are calculated by molecular dynamical simulations. The potential TIP4P (transferable intermolecular potentical with four sites) is used for water interactions and Lennard-Jones for He-He and He-water interactions. He molecules do not affect the water lattice and can stabilize the hydrate when their concentration is small. A trough signature of He encased is found at 80～90 meV in the phonon density of states. He molecules prefer to be more off-center in 51262 cages. Heavier isotope He are energetically favorable to be filled in cages.     

Towards understanding the increase in strength of thermotropic polyesters with heat treatment

Thermotropic copolyester fibers of oxynaphthoate and oxybenzoate have been subjected to conditions that promote solid-state polymerization as well as annealing. The annealing process causes the crystals to perfect with a simultaneous increase in heat of fusion and melting temperature. Solid-state polymerization, a reaction rate-controlled process, causes the polymer viscosity average molecular weight to increase by chain extension from about 14,000 g/mole to more than 87,000 g/mole with a simultaneous impressive increase in tenacity from about 10 g/d (1.2 GPa) to almost 30 g/d (3.7 GPa). To understand the changes in mechanical properties, we have modeled the fiber structure as short rod-like molecules poorly bonded to a continuous matrix of parallel molecules. Lengthening of the reinforcing molecules facilitates better transfer of load from matrix to molecules, resulting in higher tenacity fibers. © 1994 John Wiley & Sons, Inc.     

太行山长城岭南山东北坡植被的研究

本文研究了太行山长城岭南山东北坡的植被分布及其特征。结果表明,从山麓至山顶,由于气候条件随海拨的逐渐升高而产生了明显的垂直变化,从而导致了植被分布的垂直变化。从山麓至山顶依次分布有落叶阔叶林、针阔混交林、针叶林和落叶阔叶灌丛等四个植被型、并因人为干扰落叶阔叶林正向针阔叶混交林和针叶林方向演替。     

On the Spectral Radius of Trees with the Given Diameter d

Let T denote a tree with the diameter d(d≥2) and order n. Let P^*d,r,n-d-1denote the tree obtained by identifying the rth vertex of path Pd l and the center of starKl,K1,n-d-1, where r = r(d) is the integer part about d 2/2. Then p(T)≤ p(P^*d,r,n-d-1), andequality holds if and only if T≌P^*d,r,n-d-1     

The Computable Dimension of I-Trees of Infinite Height

We study computable trees with distinguished initial subtree (briefly, I-trees). It is proved that all I-trees of infinite height are computably categorical, and moreover, they all have effectively infinite computable dimension.     

The Symbolic Meanings of the Forest in The Scarlet Letter by Nathaniel Hawthorn

The symbols in Hawthorne’s masterpiece The Scarlet Letter have the characteristics of indefiniteness and multi-sense. Each character brings out a different side of the forest,however the forest also brings out a different side in each character.The forest reflects multi-dimension. The image of ＂woods＂ or ＂forest＂ in The Scarlet Letter manifests Horthorne＇s understanding and exploring of the human nature. The forest may stand for individual freedom,innocence,truth,danger and evil as well.     

Influence of temperature on phosphorescence spectra of Pd-porphine in Shpol’skii matrices

We have studied the temperature dependence of the radiative deactivation of the Pd-porphine triplet states in Shpol’skii matrices in the temperature range 1.2–210 K. A substantial transformation of the phosphorescence spectra is observed as the temperature increases and is due to the inclusion of thermally activated Pd-porphine states in the radiative deactivation processes. The activation energy E_a of these Pd-porphine states is measured in matrices of n-octane and n-nonane. The splitting of the lowest quasidegenerate triplet state ΔE(T₂−T₁) is determined for planar and distorted conformations of the Pd-porphine macrocycle in the n-octane matrix as 40 and 57 cm⁻¹, respectively. The ability to use the temperature dependence of the phosphorescence properties of Pd-porphine to fabricate molecular thermometers for the low-temperature range is analyzed. __________ Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 74, No. 4, pp. 460–464, July–August, 2007.     

基于决策树方法的银行客户信用评估

分析了传统银行客户信用评估方法存在的问题,针对ID3算法存在的不足,提出了一种改进的ID3算法.实验结果表明,改进后的ID3算法分类正确率有所提高,所生成的决策树较为健壮、简洁,可以减少计算代价,提高计算效率.     

Kinetics and equilibrium of small metallic clusters: Ab initio confinement molecular dynamics study of 4

The ab initio molecular dynamics (AIMD) [1] is combined with the heuristic, successive confinement method of surveying a potential energy surface (PES) [2], thereby offering a framework for the simulation study of kinetics and equilibrium properties of metallic clusters. This approach is applied to the study of Au₄, a cluster possessing a simple but specific PES, which consists of very shallow and deep basins and due to this presents a challenge to the conventional AIMD methods. Among other things, the probabilities of the transitions between isomers have been found, and on this basis, both the time-dependent and equilibrium populations of the isomers have been calculated for the conditions typical of the NeNePo experiments [3] in the femtosecond pump-probe spectroscopy.