Molecular modeling study on surface,thermal, mechanical and gas diffusion properties of chitosan

The motivation of this work is to provide reliable and accurate modeling studies of the physical (surface, thermal, mechanical and gas diffusion) properties of chitosan (CS) polymer. Our computational efforts have been devoted to make a comparison of the structural bulk properties of CS with similar type of polymers such as chitin and cellulose through cohesive energy density, solubility parameter, hydrogen bonding, and free volume distribution calculations. Atomistic modeling on CS polymer using molecular mechanics (MM) and molecular dynamics (MD) simulations has been carried out in three dimensionally periodic and effective two dimensionally periodic condensed phases. From the equilibrated structures, surface energies were computed. The equilibrium structure of the films shows an interior region of mass density close to the value in the bulk state. Various components of energetic interactions have been examined in detail to acquire a better insight into the interactions between bulk structure and the film surface. MD simulation (NPT ensemble) has also been used to obtain polymer specific volume as a function of temperature. It is demonstrated that these V–T curves can be used to locate the volumetric glass transition temperature (T_g) reliably. The mechanical properties of CS have been obtained using the strain deformation method. Diffusion coefficients of O₂, N₂, and CO₂ gas molecules at 300 K in CS have been estimated. The calculated properties of CS are comparable with the experimental values reported in the literature. © 2007 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 45: 1260–1270, 2007     

Courants caractéristiques et analyse de SEREigen currents and RCS analysis

In this Note, we return to the theory of characteristic modes which was introduced 30 years ago for electromagnetic scattering problems. A simple mathematical framework is proposed and complete definitions are given. The potential interest of this theory in terms of Radar Cross Section (RCS) analysis is then discussed, especially in the low frequency case. Finally, a 3-D example is presented to illustrate the efficiency of this decomposition. To cite this article: Y. Morel et al., C. R. Mecanique 332 (2004).     

Grid‐free surface vorticity method applied to flow induced vibration of flexible cylinders

In order to study cross flow induced vibration of heat exchanger tube bundles, a new fluid–structure interaction model based on surface vorticity method is proposed. With this model, the vibration of a flexible cylinder is simulated at Re=2.67 × 10⁴, the computational results of the cylinder response, the fluid force, the vibration frequency, and the vorticity map are presented. The numerical results reproduce the amplitude‐limiting and non‐linear (lock‐in) characteristics of flow‐induced vibration. The maximum vibration amplitude as well as its corresponding lock‐in frequency is in good agreement with experimental results. The amplitude of vibration can be as high as 0.88D for the case investigated. As vibration amplitude increases, the amplitude of the lift force also increases. With enhancement of vibration amplitude, the vortex pattern in the near wake changes significantly. This fluid–structure interaction model is further applied to simulate flow‐induced vibration of two tandem cylinders and two side‐by‐side cylinders at similar Reynolds number. Promising and reasonable results and predictions are obtained. It is hopeful that with this relatively simple and computer time saving method, flow induced vibration of a large number of flexible tube bundles can be successfully simulated. Copyright © 2004 John Wiley & Sons, Ltd.     

Transient free‐surface flow of a viscoelastic fluid in a narrow channel

The interplay between inertia and elasticity is examined for transient free‐surface flow inside a narrow channel. The lubrication theory is extended for the flow of viscoelastic fluids of the Oldroyd‐B type (consisting of a Newtonian solvent and a polymeric solute). While the general formulation accounts for non‐linearities stemming from inertia effects in the momentum conservation equation, and the upper‐convected terms in the constitutive equation, only the front movement contributes to non‐linear coupling for a flow inside a straight channel. In this case, it is possible to implement a spectral representation in the depthwise direction for the velocity and stress. The evolution of the flow field is obtained locally, but the front movement is captured only in the mean sense. The influence of inertia, elasticity and viscosity ratio is examined for pressure‐induced flow. The front appears to progress monotonically with time. However, the velocity and stress exhibit typically a strong overshoot upon inception, accompanied by a plug‐flow behaviour in the channel core. The flow intensity eventually diminishes with time, tending asymptotically to Poiseuille conditions. For highly elastic liquids the front movement becomes oscillatory, experiencing strong deceleration periodically. A multiple‐scale solution is obtained for fluids with no inertia and small elasticity. Comparison with the exact (numerical) solution indicates a wide range of validity for the analytical result. Copyright © 2004 John Wiley & Sons, Ltd.     

非球面最适球面的确定方法——三点法

根据非球面生产的实际情况．指出非球面最适球面的确定方法．详细分析最适球面的计算方法．并对一抛物面进行了实例计算，通过与最小二乘法的计算结果比较．指出该方法具有计算简单、与加工工艺过程相符合等特点。     

Minkowski-type and Alexandrov-Type Theorems for Polyhedral Herissons

Classical H. Minkowski theorems on existence and uniqueness of convex polyhedra with prescribed directions and areas of faces as well as the well-known generalization of H. Minkowski uniqueness theorem due to A.D. Alexandrov are extended to a class of nonconvex polyhedra which are called polyhedral herissons and may be described as polyhedra with injective spherical image.     

On the stationary Lp-approximation power to derivatives by radial basis function interpolation

In this paper, we consider approximation to derivatives of a function by using radial basis function interpolation. Most of well-known theories for this problem provide error analysis in terms of the so-called native space, say C_φ. However, if a basis function φ is smooth, the space C_φ is extremely small. Thus, the purpose of this study is to extend this result to functions in the homogenous Sobolev space.     

Static and dynamic detection of axial surface defects on metallic wires by conical triple laser reflection

The quality of the surface of metallic wires is relevant for different applications. The reflection of a laser beam on the surface of a metallic cylindrical wire provides an efficient way to inspect the quality of its surface. Our interest is focused in the detection of axially oriented defects, which are the most relevant for the wire drawing process. We present a simple interference-geometrical model to describe the light pattern reflected from a wire with defects. This model adequately accounts for the observed results from an industrial prototype developed for the purpose. It incorporates three-laser beams incident on the wire at equidistant locations in its perimeter, which produce three reflection cones with a CCD. This configuration permits to explore the whole perimeter of the wire. Several results are presented, both in static operation and in production line, in agreement with qualitative and quantitative predictions.     

Physics in Melbourne

I survey highlights of the practice of physics and allied sciences in Melbourne,Australia, from the 1850s, soon after Europeans first settled in the area, to the present. I note recognizable sites of past and current physical-science activity that may be visited, as well as exhibits of historic items of physics apparatus. I trace the role of physics, in the course of a century and a half, in the evolution of a pioneering settlement into a large city embedded in a modern industrial economy.     

Sn/Ge(1 1 1) α-phase: characterization of image resonances by specular electron reflection and selective electron scattering

Image potential resonances on the Sn/Ge(1 1 1) α-phase are investigated by two closely related methods: specular electron reflection and so-called selective electron scattering. Electrons from image resonances are detected on this surface at 120 and 300 K, i.e. below and above the phase transition at about 200 K. The dispersion of the image resonances reveals at these two temperatures equivalent effective electron masses, which are characteristic for this type of electronic surface states. The results of the two methods are consistent according to the similarity of the scattering processes. Changes in the loss peak intensity with the annealing temperature are assigned to the surface quality and are reflected by characteristic photoemission intensities.