Electron excitation cross section of atomic transitions in the two‐state approximation

The cross section of the 3s → 3p transition of sodium produced by electron impact has been calculated by performing a numerical integration of the coupled differential equations. The potential functions have been calculated exactly using the hydrogen‐like wave functions for the valence electron of the sodium with an effective charge adjusted to fit the experimental 3s → 3p line strength. The results compare very well with experimental data and with those obtained using more elaborate and sophisticated models.     

一个反应扩散方程的门槛结果

本文讨论反应扩散方程Ｃａｕｃｈｙ问题解的整体存在性，渐近性质和Ｂｌｏｗｕｐ问题．其中或者１＜ｑ＜ｐ＜＋∞，ｎ＝２．得到门槛结果．     

无原子布氏代数理论的计算复杂性

研究无原子布氏代数的计算复杂性 .得到了下面的新定理 :定理 1　无原子布氏代数理论Δ具有完全的量词消去法 ,也就是说每一个式子都Δ等价于一个开式子 .定理 2　无原子布氏代数的初等型Γ (x1,… ,xn)是由型内的不含量词的全体开式子所唯一决定 .定理 3　无原子布氏代数的一个长度为 n的语句的判断过程所消耗的 Turing时间和空间都是属于 2 2 cn指数级 .     

Domain size equilibration in sphere‐forming block copolymers

The kinetics of domain size equilibration were studied for asymmetric poly(ethylene‐alt‐propylene)‐b‐poly(dimethyl siloxane) (EPDMS) and polyisoprene‐b‐poly(dimethyl siloxane) (IDMS) block copolymers in the body‐centered cubic ordered phase. Small‐angle X‐ray scattering measurements of the principal peak position (q*) were made as a function of time after temperature jumps within the ordered state. The equilibration times were remarkably long, especially on cooling and for temperatures below 100 °C. For example, after a quench to 40 °C, q* for EPDMS had not fully equilibrated even after several weeks of annealing; IDMS required several days to equilibrate at the same temperature. In contrast, a lamella‐forming EPDMS sample was able to adjust q* within the timescale of the measurements (i.e., minutes) with both heating and cooling over the same temperature range. Measurements of tracer diffusion indicated that chain mobility was not the rate‐limiting step, although differences in mobility did account for the differences between EPDMS and IDMS. Rather, the limiting step was the required reduction in the number density of spheres on cooling; the disappearance of spheres, either by evaporation or by fusion, provided a large kinetic barrier. Lamellae, however, could adjust domain dimensions simply by local displacements of individual chains. © 2003 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 41: 715–724, 2003     

Collisional Relaxation of Luminescence Anisotropy in Rarefied Gases in the Condensed Phase

The orientational relaxation of optically induced anisotropy in rarefied gases and at a damped rotation has been investigated. It has been found that the anisotropy relaxation in rarefied gases is described by a reduced kinetic equation depending only on free rotation integrals. The behavior of the integral anisotropy of luminescence for free symmetric and asymmetric top molecules has been elucidated. The law of luminescence depolarization has been obtained for asymmetric top molecules in the Gordon J-diffusion model. It represents the sum of two Stern–Volmer-type dependences, whose relative contribution is determined by the orientation of the dipole moments of transitions with absorption and emission of light in the molecular coordinate system and by the principal moments of inertia of the molecular top. It has been established that in the limit of a strongly damped rotation, kinetic equations of the general form reduce to equations of rotational diffusion. A number of modified diffusion equations correctly describing the contribution of inertial effects to the orientational relaxation of anisotropy have been obtained.     

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     

Grow-up rate of solutions for a supercritical semilinear diffusion equation

We study solutions of the Cauchy problem for a supercritical semilinear parabolic equation which converge to a singular steady state from below as t→∞. We show that the grow-up rate of such solutions depends on the spatial decay rate of initial data.     

Carrier diffusion in InGaAs/GaAs quantum wells grown on vicinal GaAs(0 0 1) substrates

We have investigated the influence of vicinal GaAs substrates on the optical and electronic properties of InGaAs/GaAs quantum wells (QWs). A single In_0.10Ga_0.90As QW was grown by molecular-beam epitaxy on a vicinal GaAs(0 0 1) substrate with a miscut angle of 0° (nominal), 2°, 4° and 6° towards [1 1 0]. The carrier diffusion was obtained by a micro-photoluminescence scan technique that permits to observe the effective diffusion length characterized by the lateral spread of carriers in the QW followed by radiative recombination. The carrier diffusion length was obtained parallel (L_||) and perpendicular (L) to the atomic steps. The diffusion length decreases as the temperature increases up to 100 K. Above this temperature we found different behaviours that depend on the sample miscut angle.     

A posteriori H1 error estimation for a singularly perturbed reaction diffusion problem on anisotropic meshes

The paper deals with a singularly perturbed reaction diffusionmodel problem. The focus is on reliable a posteriori error estimatorsfor the H¹ seminorm that can be applied to anisotropic finiteelement meshes. A residual error estimator and a local problemerror estimator are proposed and rigorously analysed. They arelocally equivalent, and both bound the error reliably. Threemodifications of these estimators are introduced and discussed. Much attention is given to the performance of the error estimatorin numerical experiments. This helps to identify those estimatorsthat are suitable for practical applications.