Studies on the Adsorption of Asymmetrical Triblock Copolymers by Scheutjens-Fleer Theory and Monte Carlo Simulation

The adsorption of asymmetrical triblock copolymers from a non-selective solvent on solid surface has been studied by using Scheutjens-Fleer mean-field theory and Monte Carlo simulation method on lattice model. The main aim of this paper is to provide detailed computer simulation data, taking A8-kB20Ak as a key example, to study the influence of the structure of copolymer on adsorption behavior and make a comparison between MC and SF results. The simulated results show that the size distribution of various configurations and density-profile are dependent on molecular structure and adsorption energy. The molecular structure will lead to diversity of adsorption behavior. This discrepancy between different structures would be enlarged for the surface coverage and adsorption amount with increasing of the adsorption energy. The surface coverage and the adsorption amount as well as the bound fraction will become larger as symmetry of the molecular structure becomes gradually worse. The adsorption layer becomes thicker with increasing of symmetry of the molecule when adsorption energy is smaller but it becomes thinner when adsorption energy is higher. It is shown that SF theory can reproduce the adsorption behavior of asymmetrical triblock copolymers. However, systematic discrepancy between the theory and simulation still exists.The approximations inherited in the mean-filed theory such as random mixing and the allowance of direct back folding may be responsible for those deviations.     

Kinetic Parameters of Ion-Exchange Membrane in Amino Acid Solutions

Kinetic parameters of amino acid cations in an MK-40 ion-exchange membrane are calculated from the conductivity data. A theoretical quantum-chemical analysis of experimental activation energies for conduction suggests a mechanism of elementary act of transport of amino acid cations in the membrane.     

Elliptic and parabolic problems in unbounded domains

We consider elliptic and parabolic problems in unbounded domains. We give general existence and regularity results in Besov spaces and semi‐explicit representation formulas via operator‐valued fundamental solutions which turn out to be a powerful tool to derive a series of qualitative results about the solutions. We give a sample of possible applications including asymptotic behavior in the large, singular perturbations, exact boundary conditions on artificial boundaries and validity of maximum principles. (© 2004 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

An approach to deciding the observational equivalence of Algol-like languages

We prove that the observational equivalence of third-order finitary (i.e. recursion-free) Idealized Algol (IA) is decidable using Game Semantics. By modelling the state explicitly in our games, we show that the denotation of a term M of this fragment of IA is a compactly innocent strategy-with-state, i.e. the strategy is generated by a finite view function f_M. Given any such f_M, we construct a real-time deterministic pushdown automaton (DPDA) that recognizes the complete plays of the knowing-strategy denotation of M. Since such plays characterize observational equivalence, and there is an algorithm for deciding whether any two DPDAs recognize the same language, we obtain a procedure for deciding the observational equivalence of third-order finitary IA. Restricted to second-order terms, the DPDA representation cuts down to a deterministic finite automaton; thus our approach gives a new proof of Ghica and McCusker’s regular-expression characterization for this fragment. Our algorithmic representation of program meanings, which is compositional, provides a foundation for model-checking a wide range of behavioural properties of IA and other cognate programming languages. Another result concerns second-order IA with full recursion: we show that observational equivalence for this fragment is undecidable.     

非饱和土本构关系的混合物理论(Ⅱ)--线性本构方程和场方程

通过对非饱和土非线性本构方程和场方程的线性化，推导出了非饱和土的线性本构方程和场方程，把线性方程表示为与Biot饱和多孔介质方程相似的形式；证明了Darcy定律对非饱和土的适用性；说明了Biot饱和多孔介质方程是这些线性方程的特征。所有这些都表明用混合理论处理非饱和土本构问题的正确性。     

基于粗糙集理论的知识约简及应用实例

在保持分类能力不变的前提下 ,通过利用粗糙集理论中的知识约简方法 ,在保护知识库分类不变的条件下 ,删除其中不相关或不重要的知识 ,从而导出问题的决策 .利用基于决策表的粗糙集模型算法 ,实例分析如何数字化表示决策表 ,并对其进行属性约简和属性值的约简 ,从而提取决策规则 .     

Electromagnetic energy flow near nanoparticles—I: single spheres

The electromagnetic (EM) energy flow near single spheres is investigated by applying Mie theory. From the patterns of the energy flow, the absorption and the scattering of light can be understood in the microscopic point of view. In the absorption profiles of metallic particles, most absorbed energy is consumed on the surface of the particles, which indicates that the resonance of surface plasmon is different from that of the bulk plasmon. Two mechanisms to enhanced local EM field are also distinguished. One is the surface plasmon resonance, and another one is the intensified energy flow.     

Degenerate nonlinear hyperbolic conservation laws: Non classical geometrical theory

Kinetic selection principles have been shown to be useful and physically reasonable in nonlinear hyperbolic problems with large amplitude phase transitions. We refer to Abeyaratne and Knowles, [A-K], for discussion on the subject. They also have been used for degenerate nonlinear problems, where the genuine nonlinearity property of Lax is violated. This is the framework of Liu, [Li], in the kinetic situation of Hayes and Le Floch, [H-L], where their so-called non classical shocks may be seen as small amplitude phase transitions. Here, we describe the local geometry generated by the generic non genuinely nonlinear assumption. A geometric kinetic criterion can be used to select indeterminate simple waves and obtain the well-posedness of the local Riemann problem. A particular case is the entropic kinetic criterion of Hayes and Le Floch.

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Sunto Principi di selezione cinetica sono stati mostrati utili e fisicamente ragionevoli in problemi iperbolici con transizioni di fase di grande ampiezza. Ci riferiamo ad Abeyaratne e Knowles, [A-K], per discussioni sull'argomento. Detti principi sono stati usati per problemi nonlineari degeneri, dove la proprietà di genuina nonlinearità di Lax è violata. Questo è la prospettiva di Liu, [Li], nella situazione cinetica di Hayes e Le Floch, [H-L], dove i loro così detti urti non classici possono essere considerati come transizioni di fase di piccola ampiezza. Qui, descriviamo la geometria locale generata dall'ipotesi generica genuinamente nonlineare. Un criterio di geometria cinetica può essere usato per selezionare onde semplici indeterminate ed ottenere la buona posizione per il problema locale di Riemann. Un caso particolare è il criterio di entropia cinetico di Hayes e Le Floc.

     

A grid‐free upwind relaxation scheme for inviscid compressible flows

A new grid‐free upwind relaxation scheme for simulating inviscid compressible flows is presented in this paper. The non‐linear conservation equations are converted to linear convection equations with non‐linear source terms by using a relaxation system and its interpretation as a discrete Boltzmann equation. A splitting method is used to separate the convection and relaxation parts. Least squares upwinding is used for discretizing the convection equations, thus developing a grid‐free scheme which can operate on any arbitrary distribution of points. The scheme is grid free in the sense that it works on any arbitrary distribution of points and it does not require any topological information like elements, faces, edges, etc. This method is tested on some standard test cases. To explore the power of the grid‐free scheme, solution‐based adaptation of points is done and the results are presented, which demonstrate the efficiency of the new grid‐free scheme. Copyright © 2005 John Wiley & Sons, Ltd.     

Stable nonequilibrium probability densities and phase transitions for meanfield models in the thermodynamic limit

A nonlinear Fokker-Planck equation is derived to describe the cooperative behavior of general stochastic systems interacting via mean-field couplings, in the limit of an infinite number of such systems. Disordered systems are also considered. In the weak-noise limit; a general result yields the possibility of having bifurcations from stationary solutions of the nonlinear Fokker-Planck equation into stable time-dependent solutions. The latter are interpreted as non-equilibrium probability distributions (states), and the bifurcations to them as nonequilibrium phase transitions. In the thermodynamic limit, results for three models are given for illustrative purposes. A model of self-synchronization of nonlinear oscillators presents a Hopf bifurcation to a time-periodic probability density, which can be analyzed for any value of the noise. The effects of disorder are illustrated by a simplified version of the Sompolinsky-Zippelius model of spin-glasses. Finally, results for the Fukuyama-Lee-Fisher model of charge-density waves are given. A singular perturbation analysis shows that the depinning transition is a bifurcation problem modified by the disorder noise due to impurities. Far from the bifurcation point, the CDW is either pinned or free, obeying (to leading order) the Grüner-Zawadowki-Chaikin equation. Near the bifurcation, the disorder noise drastically modifies the pattern, giving a quenched average of the CDW current which is constant. Critical exponents are found to depend on the noise, and they are larger than Fisher's values for the two probability distributions considered.