DNA纤维的X射线衍射分析与双螺旋结构的发现

概述了DNA化学结构式确立的过程,介绍了x射线衍射分析的概念、原理和方法,阐述了物理学家威尔金斯和物理化学家富兰克林在用实验事实证明DNA双螺旋结构方面所作出的巨大贡献。     

CO_2跨临界压缩式制冷循环理论分析

环保工质CO_2作为制冷剂用于空调领域再次受到广泛关注。文中对CO_2跨临界循环进行了热力学理论分析,分析结果表明:循环系统存在最优高压压力,使得其COP达到最大值;蒸发温度的升高或者冷却压力的降低都能提高COP,但都会降低效率;实际运行系统中,应该尽可能提高蒸发温度或者降低气体冷却器的出口温度。     

Lattice-BGK approach to simulating granular flows

Many continuum theories for granular flow produce an equation of motion for the fluctuating kinetic energy density (granular temperature) that accounts for the energy lost in inelastic collisions. Apart from the presence of an extra dissipative term, this equation is very similar in form to the usual temperature equation in hydrodynamics. It is shown how a lattice-kinetic model based on the Bhatnagar-Gross-Krook (BGK) equation that was previously derived for a miscible two-component fluid may be modified to model the continuum equations for granular flow. This is done by noting that the variable corresponding to the concentration of one species follows an equation that is essentially analogous to the granular temperature equation. A simulation of an unforced granular fluid using the modified model reproduces the phenomenon of clustering instability, namely the spontaneous agglomeration of particles into dense clusters, which occurs generically in all granular flows. The success of the continuum theory in capturing the gross features of this basic phenomenon is discussed. Some shear flow simulations are also presented.     

Nearest-neighbour spacing distributions of the β-Hermite ensemble of random matrices

The evolution with β of the distributions of the spacing ‘s’ between nearest-neighbour levels of unfolded spectra of random matrices from the β-Hermite ensemble (β-HE) is investigated by Monte Carlo simulations. The random matrices from the β-HE are real symmetric and tridiagonal where β, which can take any positive value, is the reciprocal of the temperature in the classical electrostatic interpretation of eigenvalues. The distribution of eigenvalues coincide with those of the three classical Gaussian ensembles for β=1, 2, 4. The use of the β-HE ensemble results in an incomparable speed up and efficiency of numerical simulations of all spectral characteristics of large random matrices. Generalized gamma distributions are shown to be excellent approximations of the nearest-neighbor spacing (NNS) distributions for any β while being still simple. They account both for the level repulsion in ∼s^β when s→0 and for the whole shape of the NNS distributions in the range of ‘s’ which is accessible to experiment or to most numerical simulations. The exact NNS distribution of the GOE (β=1) is in particular significantly better described by a generalized gamma distribution than it is by the Wigner surmise while the best generalized gamma approximation coincides essentially with the Wigner surmise for β>∼2. They describe too the evolution of the level repulsion between that of a Poisson distribution and that of a GOE distribution when β increases from 0 to 1. The distribution of ln (s), related to the electrostatic interaction energy between neighbouring charges, is accordingly well approximated by a generalized Gumbel distribution for any β?0. The distributions of the minimum NN spacing between eigenvalues of matrices from the β-HE, obtained both from as-calculated eigenvalues and from unfolded eigenvalues are Brody distributions which are classically used to characterize the spectral fluctuations of various physical systems.     

A Note on Casoratian Solutions to Two-Dimensional Toda Lattice

In this short paper we generalize the conditions that Casoratian entries satisfy for the two-dlmenslonal Toda lattice. Although we finally conclude that our generalization is trivial in some sense for getting new solutions, our discussion is still helpful for the study of Wronskian technique.     

Efficiency of the Incomplete Enumeration Algorithm for Monte-Carlo Simulation of Linear and Branched Polymers

We study the efficiency of the incomplete enumeration algorithm for linear and branched polymers. There is a qualitative difference in the efficiency in these two cases. The average time to generate an independent sample of configuration of polymer with n monomers varies as n ² for linear polymers for large n, but as exp(cn ^α) for branched (undirected and directed) polymers, where 0<α<1. On the binary tree, our numerical studies for n of order 10⁴ gives α = 0.333±0.005. We argue that α =1/3 exactly in this case. An erratum to this article can be found at .     

Molecular dynamics simulations of pure methane and carbon dioxide hydrates: lattice constants and derivative properties

ABSTRACT

We report extensive molecular dynamics simulation results of pure methane and carbon dioxide hydrates at pressure and temperature conditions that are of interest to various practical applications. We focus on the calculation of the lattice constants of the two pure hydrates and their dependence on pressure and temperature. The calculated lattice constants are correlated using second order polynomials which are functions of either temperature or pressure. Finally, the obtained correlations are used in order to calculate two derivative properties, namely the isothermal compressibility and the isobaric thermal expansion coefficient. The current simulation results are also compared against reported experimental measurements and other simulation studies and good agreement is found for the case of isothermal compressibility. On the other hand, for the case of isobaric thermal expansion coefficient good agreement is found only with other simulation studies, while the simulation studies are in disagreement with experiments, particularly at low temperatures.     

Phase transition and optoelectronic properties of MgH2

In this article, structural and electronic properties of MgH₂ have been studied. The aim behind this study was to find out the ground state crystal structure of MgH₂. For the purpose, density functional theory (DFT)-based full-potential linearized augmented plane wave (FP-LAPW) calculations have been performed in three different space groups: P4₂/mnm (α-MgH₂), Pa3 (β-MgH₂) and Pbcn (γ-MgH₂). It has been found that the ground state structure of MgH₂ is α-MgH₂. The present study shows that α-MgH₂ transforms into γ-MgH₂ at a pressure of 0.41 GPa. After further increase in pressure, γ-MgH₂ transforms into β-MgH₂ at a pressure of 3.67 GPa. The obtained results are in good agreement with previously reported experimental data. In all the studied phases, the behavior of MgH₂ is insulating and its optical conductivity is around 6.0 eV. The α-MgH₂ and γ-MgH₂ are anisotropic materials while β-MgH₂ is isotropic in nature.     

处理污泥焦颗粒内部孔结构在燃烧过程中变化

在管式炉反应器中进行了1种污泥定温燃烧试验,进行了5个不同燃烬率样品的液氮静态容量法等温物理吸附试验.发现不同燃烬率的污泥样品孔分布特性相似,其孔系统可能主要是由一端封闭的不透气的孔构成;随着燃烬率的增加,比表面积、平均孔径和孔体积等参数变化不同;样品颗粒内孔表面分形维数随燃烬率的增长呈先降低再升高的趋势.     

Role of the d-f Coulomb interaction in intermediate valence and Kondo systems: a numerical renormalization group study

Using the numerical renormalization group method, the dependences on temperature of the magnetic susceptibility χ(T) and specific heat C(T) are obtained for the single-impurity Anderson model with inclusion of d-f the Coulomb interaction. It is shown that the exciton effects caused by this effect (charge fluctuations) can significantly change the behaviour of C(T) in comparison with the standard Anderson model at moderately low temperatures, whereas the behaviour of χ(T) remains nearly universal. The ground-state and temperature-dependent renormalizations of the effective hybridization parameter and f-level position caused by the d-f interaction are calculated, and satisfactory agreement with the Hartree-Fock approximation is derived.