On the Solvability of the Multidimensional Version of the First Darboux Problem for a Model Second-Order Degenerating Hyperbolic Equation

A multidimensional version of the first Darboux problem is considered for a model second-order degenerating hyperbolic equation. Using the technique of functional spaces with a negative norm, the correct formulation of this problem in the Sobolev weighted space is proved.     

Asymptotic properties of an HIV/AIDS model with a time delay

A mathematical model for HIV/AIDS with explicit incubation period is presented as a system of discrete time delay differential equations and its important mathematical features are analysed. The disease-free and endemic equilibria are found and their local stability investigated. We use the Lyapunov functional approach to show the global stability of the endemic equilibrium. Qualitative analysis of the model including positivity and boundedness of solutions, and persistence are also presented. The HIV/AIDS model is numerically analysed to asses the effects of incubation period on the dynamics of HIV/AIDS and the demographic impact of the epidemic using the demographic and epidemiological parameters for Zimbabwe.     

草酰胺分子构型、稳定性、IR光谱及分子轨道的密度泛函与从头算研究

运用多种密度泛函理论 (DFT)和从头算 (abinitio)方法研究了草酰胺顺、反异构体的分子几何构型 ,结果表明Beck88交换函数与LYP非局域相关函数形成杂化的DFT方法B3LYP与MP2方法计算结果比较吻合。在此基础上选择B3LYP方法对草酰胺分子电子结构、红外光谱和前线分子轨道组成进行了系统研究 ;与实验事实对比分析了气态草酰胺分子中配位原子的反应活性     

Thermal and chemical nanofractal relaxation

We studied shape relaxation of nano-fractal islands, during annealing, after their growth from antimony cluster deposition on graphite surface. Annealing at 180^°C shows evidence of an increase of the fractal branch width with time followed by branch fragmentation, without changing the fractal dimension. The time evolution of the width of the arm suggests the surface self-diffusion mechanism as the main relaxation process. With Monte Carlo simulations, we confirmed the observed behavior. Comparison is done with our previous results on fragmentation of nano-fractal silver islands when impurity added to the incident cluster promotes rapid fragmentation by surface self-diffusion enhancement [1].     

Stability of solutions to the Cauchy problem for a plane hyperbolic system with time-periodic coefficients

Considering a plane hyperbolic system with time-periodic coefficients, we construct a version of the direct Lyapunov method with the condition on the derivative of the Lyapunov functional along the trajectories of the system which is weakened by use of periodicity of the coefficients. We exhibit an illustrative example.     

A comparative study on the interaction between tin(II) porphyrin and selected group 8B metals for potential application as reduction catalysts

We study the interaction between tin(II) porphyrin (SnPor) with platinum and non-precious Group 8B metals (iron, cobalt and nickel) by density functional theory and discuss the electronic properties of the resulting products. We also model the interaction of the resulting compounds with water where applicable. Our studies indicate that, SnPor-Ni possesses electronic properties similar to SnPor-Pt, suggesting that it may possess similar photocatalytic properties for reduction reactions, such as converting water to hydrogen gas.     

Deformations of functionals and bifurcations of extremals

We study homology characteristics of critical values and extremals of Lipschitz functionals defined on bounded closed convex subsets of a reflexive space that are invariant under deformations. Sufficient conditions for the existence of a bifurcation point of a multivalued potential operator (the switch principle for the typical number of an extremal) are established.