An asymptotic stability involving collision and avoidance

Generally it is not easy task whether the stable systems governed by nonlinear ordinary differential equations are asymptotically stable or not. This problem often appears in studying a collision and avoidance control problem based on the stability theory. In this paper we devoted to finding conditions that the stable system obtained from the collision and avoidance control problem is asymptotically stable.     

Core ionization energies of atoms and ions calculated using the generalized Sturmian method

The physical event of the umbrella inversion of ammonia has been studied in detail by application of the formalisms of frontier orbital theory, the density functional theory, the localized molecular orbital method, and the energy partitioning analysis. An intuitive structure for the transition state and dynamics of the physical process of structural reorganization prior to inversion have been suggested. The computation starts with the CNDO/2 equilibrium geometry, and thereafter the cycle proceeds through all the conformations of ammonia obtained by varying the ∠HNH angle in steps of 2° from its equilibrium value up to the transition state. The geometry of each conformation is optimized with respect to the length of the N–H bond. The glimpses of the charge density reorganization during the movement of the molecule from equilibrium conformation toward the transition state is computed in terms of dipole moment and the quantum mechanical hybridizations of bond pair and lone pair of N atom through the localized molecular orbitals (LMOs) of all the conformations. Results demonstrate that as the geometry of the molecule begins to evolve through the reorganization of structure, the N–H bond length and the dipole moment begin to decrease, and the trend continues up to the transition state. The dipole moment of the molecule at the suggested transition state is zero. The computed nature of quantum mechanical hybridization of bond pair and lone pair of the N atom as a function of reaction coordinates of the ∠HNH angles reveals that the percentage of s character of the lone pair hybrid decreases and that of the bond pair hybrid forming the σ(N–H) bond increases during the process of geometry reorganization from the equilibrium shape to the transition state. The rationale of the zero dipole moment of the transition state for inversion is not straightforward from its point‐group symmetry, but is self‐evident from its electronic structure drawn in terms of LMOs. The electronic structure of the transition state, which may be drawn in terms of the LMOs, seems to closely reproduce its suggested intuitive structure. The pattern of variation of dipole moment and nature of the changes of the percentage of the s character in the lone pair hybrid creating dipole with the evolution of geometry during the physical process of structural reorganization for the inversion are found to be nicely correlated according to the suggestion of Coulson. The profiles of the increasing strength of the N–H bond and the increasing percentage of s character of the bond pair hybrid of N atom forming this bond as a function of reaction coordinates are also found to be correlated in accordance with the suggestion of Coulson. The profile of global hardness as a function of reaction coordinate seems to demonstrate that the dynamics of the evolution of the molecular structure from equilibrium shape to the transition state following the course of suggested mode of structural reorganization conforms to the principle of maximum hardness (PMH). The profiles of parameters like the energies of highest occupied and lowest unoccupied molecular orbital (HOMO and LUMO), the gap in energy between HOMO and LUMO, the global hardness, the global softness, and chemical potential as a function of reaction coodinates of a continuous structural evolution from equilibrium shape to the transition state mimic the potential energy diagram of the total energy. Both the frontier orbital parameters and the density functional quantities are found to be equally effective and reliable to monitor the process of necessary structural reorganization prior to the inversion of mofecules. An energy partitioning analysis demonstrates that the origin of barrier has no unique single source rather as many as four mutually exclusive but interacting one‐ and two‐center energy terms within the molecule entail the origin and the height of the barrier. From a close analysis of the results, it seems highly probable that the necessary structural reorganization prior to umbrella inversion of ammonia most realistically occurs following the course of normal modes of vibration of the molecule. © 2000 John Wiley & Sons, Inc. Int J Quant Chem 80: 1–26, 2000     

Coupling of crystalline colloidal arrays with intrinsically conductive polymers: Reflection-type electrochromic devices

The attenuation of the reflected light from a polystyrene (PS) polymerized crystalline colloidal array (PCCA) is achieved through the electrochemical switching of the electrochromic material polyaniline-poly(2-acrylamido-2-methyl-1-propanesulfonicacid) (PANI-PAMPS). For this purpose, layered electrochromic devices (ECDs) were fabricated that employed a PS PCCA film, acting as both a reflecting substrate and polymeric electrolyte, and the conducting polymer PANI-PAMPS, which served as the electrochromic layer. The resulting ECDs exhibited the attenuation of reflectance peak at the stop band position of the PCCA with a 3% of reflectance contrast ratio.     

PHOTOCYCLOADDITION OF 5,7-DIMETHOXYCOUMARIN TO THYMINE

Abstract— C₄-_-Photocycloaddition of 5,7-dimethoxycoumarin (DMC) to thymine (λ≥ 300 nm) was studied in dioxane-water solution, in aqueous frozen state, and solid film state. The major product was isolated and characterized by physical methods. Elemental analysis data, spectral analyses, and photo-splitting of the product indicate the product to be a 1:l C₄-_-cycloadduct of DMC and thymine.     

Flocking Dynamics of the Inertial Spin Model with a Multiplicative Communication Weight

In this paper, we study a flocking dynamics of the deterministic inertial spin (IS) model. The IS model was introduced for the collective dynamics of active particles with an internal angular momentum, or spin. When the generalized moment of inertia becomes negligible compared to spin dissipation (overdamped limit) and mutual communication weight is a function of a relative distance between interacting particles, the deterministic inertial spin model formally reduces to the Cucker–Smale (CS) model with constant speed constraint whose emergent dynamics has been extensively studied in the previous literature. We present several sufficient frameworks leading to the asymptotic mono-cluster flocking, in which spins and relative velocities tend to zero asymptotically. We also provide several numerical simulations for the decoupled and coupled inertial spin models to see the effect of the C–S velocity flocking and compare them with our analytical results.

     

Composite support vector quantile regression estimation

In this paper we propose a new nonparametric regression method called composite support vector quantile regression (CSVQR) that combines the formulations of support vector regression and composite quantile regression. First the CSVQR using the quadratic programming (QP) is proposed and then the CSVQR utilizing the iteratively reweighted least squares (IRWLS) procedure is proposed to overcome weakness of the QP based method in terms of computation time. The IRWLS procedure based method enables us to derive a generalized cross validation (GCV) function that is easier and faster than the conventional cross validation function. The GCV function facilitates choosing the hyperparameters that affect the performance of the CSVQR and saving computation time. Numerical experiment results are presented to illustrate the performance of the proposed method     

Estimating value at risk with semiparametric support vector quantile regression

Value at Risk (VaR) has been used as an important tool to measure the market risk under normal market. Usually the VaR of log returns is calculated by assuming a normal distribution. However, log returns are frequently found not normally distributed. This paper proposes the estimation approach of VaR using semiparametric support vector quantile regression (SSVQR) models which are functions of the one-step-ahead volatility forecast and the length of the holding period, and can be used regardless of the distribution. We find that the proposed models perform better overall than the variance-covariance and linear quantile regression approaches for return data on S&P 500, NIKEI 225 and KOSPI 200 indices.     

Synthesis and electroluminescent properties of fluorene‐based copolymers containing electron‐withdrawing thiazole derivatives

We synthesized two fluorene‐based copolymers poly[(2,5‐bis(4‐hexylthiophen‐2‐yl)thiazolo[5,4‐day]thiazole‐5,5′‐diyl)‐alt‐(9,9′‐dioctylfluorene‐2,7‐diyl)] ( PF‐TTZT), and poly[(5,5′‐bis(4‐hexylthiophen‐2‐yl)‐2,2′‐bithiazole‐5,5′‐diyl)‐alt‐(9,9′‐dioctylfluorene‐2,7‐diyl)] (PF‐TBTT), which contain the electron‐withdrawing moieties, thiazolothiazole, and bithiazole, respectively. Through electrochemical studies, we found that these two polymers exhibit stable reversible oxidation and reduction behaviors. Moreover, the highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) energy levels of PF‐TBTT are lower than those of PF‐TTZT, and the bandgap of PF‐TBTT is smaller than that of PF‐TTZT. Thus the bithiazole moiety in PF‐TBTT is more electron‐withdrawing than the thiazolothiazole moiety in PF‐TTZT. Light‐emitting devices with indium tin oxide (ITO)/poly(3,4‐ethylene dioxythiophene):poly(styrenesulfonate)(PEDOT)/polymer/bis(2‐methyl‐8‐quinolinato)‐4‐phenylphenolate aluminum (BAlq)/LiF/Al configurations were fabricated. The performance of the PF‐TBTT device was found to be almost three times better than that of the PF‐TTZT device, which is because electron injection from the cathode to PF‐TBTT is much easier than for PF‐TTZT. We also investigated the planarity and frontier orbitals of the electron donor‐acceptor (D‐A) moieties with computational calculations using ab initio Hartree–Fock with the split‐valence 6‐31G* basis set. These calculations show that TBTT has a more nonplanar structure than TTZT and that the bithiazole moiety is more electron‐withdrawing than thiazolothiazole. These calculations are in good agreement with the experimental results. © Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 46: 7148–7161, 2008     

Alternating fluorene copolymers containing isothianaphthene derivatives: A study of their aggregation properties and small band gap

Several fluorene copolymers containing isothianaphthene units ( P1 , P2 , and P3 ) or similar derivatives ( P4 and P5 ) have been synthesized by Pd‐catalyzed Suzuki polymerization. The monomers containing isothianaphthene were prepared by a ring‐closure reaction with Lawesson's reagent. Strong photoluminescence (PL) quenching in the film state was observed for P1 and P2 , which was mainly due to the enhanced quinoid character formed by introducing the isothianaphthene unit. Their energy levels of the compounds were determined using cyclic voltammetry. Among the polymers tested, the polymer containing both an isothianaphthene and a selenophene unit, P2 , showed the smallest band gap of 1.85 eV. The influence of structural variation on the band gap of the polymer chains was further investigated by optimizing the geometries of several model monomers. Our results based on the optical and electrochemical properties combined with theoretical calculations showed that polymers containing isothianaphthene have small band gaps, rigid conformations, and strong tendencies to aggregation. © 2008 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 46: 3573–3590, 2008