C2（a 3Πu）+NO 的反应机理研究

在G2 (CC ,MP2 )理论水平上研究了C2 (a3 Πu)自由基与NO分子的反应 .计算了反应体系最低二重态势能面上各驻点的构型参数、振动频率和能量 ,揭示了此反应存在两种反应机理 :由NO中的O原子进攻C2 自由基形成CCON中间体的CCON机理和NO中的N进攻C2 自由基形成CCNO中间体的CCNO机理 ,分析了对应与这两种反应机理的五个可能的反应通道 ,得出了由NO中的N原子进攻3 C2 自由基 ,生成中间体CCNO自由基 ,最终得到产物CN +CO的通道是最有利的通道 .     

Crack path instabilities in DCDC experiments in the low speed regime

We studied the low speed fracture regime (10⁻⁴-10⁻⁹ m s⁻¹) in different glassy materials (soda-lime glass, glass ceramics) with variable but controlled length scale of heterogeneity. The chosen mechanical system enabled us to work in pure mode I (tensile) and at a fixed load on double cleavage drilled compression specimen. The internal residual stresses of studied samples were carefully relaxed by appropriate thermal treatment. By means of optical and atomic force microscopy techniques fracture surfaces have been examined. We have shown for the first time that the crack front line underwent an out-of-plane oscillating behavior as a result of a reproducible sequence of instabilities. The wavelength of such a phenomenon is in the micrometer range and its amplitude in the nanometer range. These features were observed for different glassy materials providing that a typical length scale characterizing internal heterogeneities was lower than a threshold limit estimated to few nanometers. This effect is the first clear experimental evidence of crack path instabilities in the low speed regime in a uniaxial loading experiment. This phenomenon has been interpreted by referring to the stability criterion for a straight crack propagation as presented by Adda-Bedia et al. [Phys. Rev. Lett. 76 (1996) 1497].     

Ihara zeta functions of digraphs

After defining and exploring some of the properties of Ihara zeta functions of digraphs, we improve upon Kotani and Sunada’s bounds on the poles of Ihara zeta functions of undirected graphs by considering digraphs whose adjacency matrices are directed edge matrices.     

Reliability and expectation bounds for coherent systems with exchangeable components

Sharp upper and lower bounds are obtained for the reliability functions and the expectations of lifetimes of coherent systems based on dependent exchangeable absolutely continuous components with a given marginal distribution function, by use of the concept of Samaniego's signature. We first show that the distribution of any coherent system based on exchangeable components with absolutely continuous joint distribution is a convex combination of distributions of order statistics (equivalent to the k-out-of-n systems) with the weights identical with the values of the Samaniego signature of the system. This extends the Samaniego representation valid for the case of independent and identically distributed components. Combining the representation with optimal bounds on linear combinations of distribution functions of order statistics from dependent identically distributed samples, we derive the corresponding reliability and expectation bounds, dependent on the signature of the system and marginal distribution of dependent components. We also present the sequences of exchangeable absolutely continuous joint distributions of components which attain the bounds in limit. As an application, we obtain the reliability bounds for all the coherent systems with three and four exchangeable components, expressed in terms of the parent marginal reliability function and specify the respective expectation bounds for exchangeable exponential components, comparing them with the lifetime expectations of systems with independent and identically distributed exponential components.     

Asymptotic distributions of nonparametric regression estimators for longitudinal or functional data

The estimation of a regression function by kernel method for longitudinal or functional data is considered. In the context of longitudinal data analysis, a random function typically represents a subject that is often observed at a small number of time points, while in the studies of functional data the random realization is usually measured on a dense grid. However, essentially the same methods can be applied to both sampling plans, as well as in a number of settings lying between them. In this paper general results are derived for the asymptotic distributions of real-valued functions with arguments which are functionals formed by weighted averages of longitudinal or functional data. Asymptotic distributions for the estimators of the mean and covariance functions obtained from noisy observations with the presence of within-subject correlation are studied. These asymptotic normality results are comparable to those standard rates obtained from independent data, which is illustrated in a simulation study. Besides, this paper discusses the conditions associated with sampling plans, which are required for the validity of local properties of kernel-based estimators for longitudinal or functional data.     

On universal central extensions of precrossed and crossed modules

We study the connection between universal central extensions in the categories of precrossed and crossed modules. They are compared with several kinds of universal central extensions in the categories of groups, epimorphisms of groups, groups with operators and modules over a group. We study the relationship between the homologies defined in these categories. Applications to relative algebraic K-theory are also obtained.     

Nonstationary curves in Hilbert spaces and their correlation functions II

Partially supportted by Grant MM-22/1991 of MESC     

Some characterisations of supported algebras

We give several equivalent characterisations of left (and hence, by duality, also of right) supported algebras. These characterisations are in terms of properties of the left and the right parts of the module category, or in terms of the classes L₀ and R₀ which consist respectively of the predecessors of the projective modules, and of the successors of the injective modules.