First‐principles calculations of the stability and electronic properties of the PbTiO3 (110) polar surface

The structural and electronic properties of five terminations of cubic lead titanate (PbTiO₃) (110) polar surface were investigated by first‐principles total‐energy calculations using a periodic slab model. On the PbTiO termination, an anomalous filling of conduction band was observed, whereas on the O₂ termination, two surface oxygen atoms formed a peroxo group, demonstrating that the electronic structures of the two stoichiometric terminations undergo significant changes with respect to bulk materials. However, for the three nonstoichiometric TiO‐, Pb‐, and O‐terminated surfaces, their electronic structures are very similar to bulk. Charge redistribution results for the five terminations confirmed that electronic structure and surface composition changes are responsible for their polarity compensation. However, which mechanism actually dominates the stabilization process depends upon energetic considerations. A thermodynamic stability diagram suggested that the two stoichiometric terminations are unstable; however, the three nonstoichiometric terminations can be stabilized in some given regions. Furthermore, this study indicates that the very different stabilities and surface states filling behaviors of the PbTiO₃ (110) polar surface with respect to SrTiO₃ and BaTiO₃ ones seem to originate from the partially covalent characteristics of Pb O pairs. © 2008 Wiley Periodicals, Inc. J Comput Chem 2009     

Numerical modelling of unsteady convective–diffusive heat transfer with a control volume hybrid method

Presented in this paper is a numerical methodology for the solution of the parabolic governing partial differential equation that describes unsteady advection–diffusion heat transfer. The formulation presented here is shown to be free from the numerical oscillation commonly associated with advection–diffusion heat transfer regardless of the value of the Peclet number. The formulation involves the absorption of the advection term in the unsteady heat equation into the capacitance term. This process is achieved with the use of a control volume methodology applied to each nodal element on a finite-volume mesh. This is shown to ensure that spurious energy losses and gains are avoided and provides for consistency between temperature and energy change. This approach provides unconditional stability and it is shown that good accuracy is achievable with relatively large time-steps.     

Synthesis and characterization of fluorene‐based rod–coil liquid crystal polymers

A series of fluorene‐based rod–coil liquid crystal polymers with different lengths of the coil segments on backbones were designed and synthesized by a palladium‐catalyzed Suzuki coupling‐reaction. The thermal stability, the UV–Vis absorption and fluorescence spectra in chloroform solution and thin film, the electrochemical properties, thermal behavior, and morphology of these rod–coil polymers were investigated. The thermal stability of these polymers steadily decreased on increasing the length of the coil segments on the backbone; their optical and electrochemical properties did not exhibit noticeable dependence on the weight fraction of the coil segments. However, the shoulder emission and the full width at the half‐maximum (FWHM) in PL spectra of the films increased, whereas the oxidation onset potentials and the corresponding HOMO energy levels decreased with the increase in the weight fraction of the coil segments, which was assigned to microphase separation and formation of folded chain conformation as the weight fraction of the coil segments increased. These polymers displayed a characteristic liquid crystalline texture. The variation of the weight fraction of the coil segments obviously affected the thermal behavior and morphology of these rod–coil polymers. Copyright © 2008 John Wiley & Sons, Ltd.     

On the stability of the additive Cauchy functional equation in random normed spaces

Some stability results for the functional equations of Cauchy and Jensen in probabilistic setting are proved by using the fixed point method.     

On the use of the geometric approach to global stability for three dimensional ODE systems: A bilinear case

In this paper, we consider a general bilinear three dimensional ODE system, whose structure generalizes many mathematical models of biological interest, including many from epidemics. Our main goal is to find sufficient conditions, expressed in terms of the parameters of the system, ensuring that the geometric approach to global stability analysis, due to [M.Y. Li, J.S. Muldowney, A geometric approach to global-stability problems, SIAM J. Math. Anal. 27 (4) (1996) 1070-1083], may be successfully applied. We completely determine the dynamics of the general system, including thresholds and global stability of the nontrivial equilibrium. The obtained result is applied to several epidemic models. We further show how the role of new parameters on stability of well-established models may be emphasized.     

线性中立型单延迟系统李代数稳定性判据

研究了线性中立型单延迟微分系统的稳定性.从矩阵李代数可解性角度,推导出新的简单的延迟独立稳定性判据.该新判据的重要意义和优越性在于首次突破了以往大多数相关文献的稳定性判据在应用上受条件‖C‖<1,ρ(|C|)<1或ρ(|N|)<1的限制,从而首次成功确定了在‖C‖≥,ρ(|C|)≥1和ρ(|N|)≥1的情形下中立型延迟微分系统渐近稳定性.最后,通过两个例子显示了新判据的优越性.     

Dynamical analysis of a delayed ratio-dependent Holling-Tanner predator-prey model

In this paper, a delayed Holling-Tanner predator-prey model with ratio-dependent functional response is considered. It is proved that the model system is permanent under certain conditions. The local asymptotic stability and the Hopf-bifurcation results are discussed. Qualitative behaviour of the singularity (0,0) is explored by using a blow up transformation. Global asymptotic stability analysis of the positive equilibrium is carried out. Numerical simulations are presented for the support of our analytical findings.     

Delay-dependent and delay-independent stability criteria for a delay differential system

For a linear delay differential system with two coefficients and one delay, we establish some necessary and sufficient conditions on the asymptotic stability of the zero solution, which are composed of delay-dependent and delay-independent stability criteria. On the former criterion, the range of the delay is explicitly given.

     

非线性时变离散大系统零解全局指数稳定的一个定理

本文应用参数变易法,研究了一类非线性时变离散大系统零解的全局指数稳定性,获得了一个简洁的、且包括文[2]之定理2和文[3]之定理1—2的稳定性定理。