Variational sets: Calculus and applications to nonsmooth vector optimization

We develop elements of calculus of variational sets for set-valued mappings, which were recently introduced in Khanh and Tuan (2008) [1] and [2] to replace generalized derivatives in establishing optimality conditions in nonsmooth optimization. Most of the usual calculus rules, from chain and sum rules to rules for unions, intersections, products and other operations on mappings, are established. Direct applications in stability and optimality conditions for various vector optimization problems are provided.     

The ice-vapor interface and the melting point of ice I(h) for the polarizable POL3 water model

We use molecular dynamics simulations to determine the melting point of ice I(h) for the polarizable POL3 water force field (Dang, L. X. J. Chem. Phys.1992, 97, 2659). Simulations are performed on a slab of ice I(h) with two free surfaces at several different temperatures. The analysis of the time evolution of the total energy in the course of the simulations at the set of temperatures yields the melting point of the POL3 model to be T(m) = 180 ± 10 K. Moreover, the results of the simulations show that the degree of hydrogen-bond disorder occurring in the bulk of POL3 ice is larger (at the corresponding degree of undercooling) than in ice modeled by nonpolarizable water models. These results demonstrate that the POL3 water force field is rather a poor model for studying ice and ice-liquid or ice-vapor interfaces. While a number of polarizable water models have been developed over the past years, little is known about their performance in simulations of supercooled water and ice. This study thus highlights the need for testing of the existing polarizable water models over a broad range of temperatures, pressures, and phases, and developing a new polarizable water force field, reliable over larger areas of the phase diagram.     

Highly sensitive phototransistor with crystalline microribbons from new π-extended pyrene derivative via solution-phase self-assembly

A new pyrene-cored π-conjugated molecule has been synthesized through Sonogashira coupling reaction. The single-crystalline microribbon-based FET exhibited the highest mobility of 0.7 cm(2) V(-1) s(-1) (I(on)/I(off) > 10(6)). Single-crystalline microribbons were employed to operate in an organic phototransistor (OPT) under very low light intensity (I = 5.6 μW cm(-2)).     

In situ Raman and UV-vis spectroscopic studies of polypyrrole and poly(pyrrole-2,6-dimethyl-β-cyclodextrin)

Polypyrrole (PPy) and poly(pyrrole-2,6-dimethyl-β-cyclodextrin) [P(Py-β-DMCD)] films prepared by potential cycling in aqueous acidic solutions on indium tin oxide (ITO)-coated glass and gold electrodes were studied by in situ UV-vis and Raman spectroscopy. Characteristic UV-vis and Raman bands were identified and their dependencies on the electrode potential have been discussed. Spectroelectrochemical results reveal differences both in the position of the spectral bands and their potential dependence for PPy and P(Py-β-DMCD) films indicating interactions between polymer chains and CDs during electropolymerization process. The films were also characterized by cyclic voltammetry and FT-IR spectroscopy.     

QR methods and error analysis for computing Lyapunov and Sacker�CSell spectral intervals for linear differential-algebraic equations

In this paper, we propose and investigate numerical methods based on QR factorization for computing all or some Lyapunov or Sacker?CSell spectral intervals for linear differential-algebraic equations. Furthermore, a perturbation and error analysis for these methods is presented. We investigate how errors in the data and in the numerical integration affect the accuracy of the approximate spectral intervals. Although we need to integrate numerically some differential-algebraic systems on usually very long time-intervals, under certain assumptions, it is shown that the error of the computed spectral intervals can be controlled by the local error of numerical integration and the error in solving the algebraic constraint. Some numerical examples are presented to illustrate the theoretical results.     

Regularity of the solution for a final value problem for the Rayleigh‐Stokes equation

In this paper, we deal with the backward problem of determining initial condition for Rayleigh‐Stokes where the data are given at a fixed time. The problem has many applications in some non‐Newtonian fluids. We give some regularity properties of the solution to backward problem.     

Feedback control variables to restrain the Babesiosis disease

In this paper, we complete the study of the dynamics of a recognized continuous‐time model for the Babesiosis disease. The local and global asymptotic stability of the endemic state are established theoretically and experimentally. In addition, to restrain the disease in the original model when the endemic state exists, we propose and study the continuous model with feedback controls. The global stability of the boundary‐equilibrium point of this model is analyzed by means of rigorous mathematical methods. As an important consequence of this result, we propose a strategy to select feedback control variables in order to restrain the disease in the original model. This strategy allows us to make the disease vanish completely. In other words, the feedback controls are specially effective for restraining disease in the model. The validity of the established theoretical result is supported by a set of numerical simulations.