Study of the structural and optical properties of GaN/AlN quantum dot superlattices

We study GaN/AlN Quantum Dot (QD) superlattices utilizing the STREL environment which allows the building of atomistic models, relaxation of the structures, the calculation of the electronic states and optical transitions and the visualization of the results. The forces are calculated using an appropriate Keating or Stillinger–Weber interatomic potential model and the electronic states and optical transitions using a tight-binding formulation which is economical and produces realistic electronic properties. The relaxed structure has strains mainly in the GaN region which are compressive and small tensile strains in the AlN region, mainly below the QD. In the calculation of the electronic states and of the optical transitions the strains are included realistically at the atomistic level. The study of the wavefunctions close to the fundamental gap show how these strains influence the form and spatial extent of the wavefunction. Very close to the fundamental gap the valence and some conduction states are confined in the QD and have considerable oscillator strength.     

Approximating Clarke’s subgradients of semismooth functions by divided differences

We show that the algorithm presented in an earlier paper by Studniarski (Numer. Math., 55:685–693, 1989) can be applied, after only a small modification, to approximate numerically Clarke’s subgradients of semismooth functions of two variables. Results of computational testing of this modified algorithm are also reported.      

Approximation of Matrices and a Family of Gander Methods for Polar Decomposition

Two matrix approximation problems are considered: approximation of a rectangular complex matrix by subunitary matrices with respect to unitarily invariant norms and a minimal rank approximation with respect to the spectral norm. A characterization of a subunitary approximant of a square matrix with respect to the Schatten norms, given by Maher, is extended to the case of rectangular matrices and arbitrary unitarily invariant norms. Iterative methods, based on the family of Gander methods and on Higham’s scaled method for polar decomposition of a matrix, are proposed for computing subunitary and minimal rank approximants. Properties of Gander methods are investigated in details. AMS subject classification (2000) 65F30, 15A18     

On disjoint configurations in infinite graphs

For a graph A and a positive integer n, let nA denote the union of n disjoint copies of A; similarly, the union of ?₀ disjoint copies of A is referred to as ?₀A. It is shown that there exist (connected) graphs A and G such that nA is a minor of G for all n??, but ?₀A is not a minor of G. This supplements previous examples showing that analogous statements are true if, instead of minors, isomorphic embeddings or topological minors are considered. The construction of A and G is based on the fact that there exist (infinite) graphs G₁, G₂,… such that G_i is not a minor of G_j for all i ≠ j. In contrast to previous examples concerning isomorphic embeddings and topological minors, the graphs A and G presented here are not locally finite. The following conjecture is suggested: for each locally finite connected graph A and each graph G, if nA is a minor of G for all n ? ?, then ?₀A is a minor of G, too. If true, this would be a far‐reaching generalization of a classical result of R. Halin on families of disjoint one‐way infinite paths in graphs. © 2002 Wiley Periodicals, Inc. J Graph Theory 39: 222–229, 2002; DOI 10.1002/jgt.10016     

Calculated elastic constants of dilute alloys based on bcc metals

The elastic constants of dilute alloys based on bcc metals have been calculated using the Green’s function method obtaining explicit expressions for change in elastic constants in terms oft-matrix. The crystal impurity problem is discussed within an impurity model containing central and non-central force constant changes extended up to second neighbours of the impurity. The effect of volume change on elastic constants and a contribution from electron pressure term are considered. Numerical results for changes in three elastic moduli have been presented for a number of dilute alloys based on Mo, Nb, W, Ta and V.     

电子直线加速器束流均方根发射度变化方程

本文导出了考虑外场和束流效应后束流均方根发射度平方变化方程的一般表达式,并就仅考虑外场,仅考虑空间电荷场和仅考虑尾场等三种特殊情况进行了分析。     

用13CNMR研究聚甲基丙烯酸锡酯的立构序列分布

本文测定了自由基型溶液聚合的聚甲基丙烯酸三甲基锡酯(PTMTM),聚甲基丙烯酸三乙基锡酯(PTETM)和聚甲基丙烯酸三丁基锡酯(PTBTM)的¹³C-NMR谱,对其C-2谱扩展分峰,计算立构序列,从定量数据表明,聚合物样品的空间立构富于或稍富于间规立构,随取代基的体积增大而趋于无规分布,作者认为受空间位阻效应和分子内或分子间形成配位键的影响。     

A note about the Gaussian property of the Brownian bridge

The Gaussian property of the Brownian bridge is characterized as an application of Ramachandran's theorem in terms of the independence of the random variables that appear in the Karhunen-Loéve expansion of the process. A reference about the construction of the Brownian bridge by means of functional transformations is also included.     

Symmetry specified enumeration of substituted derivatives: an easy solution to the complex problem

Several sophisticated methods to solution of symmetry specified enumeration problems are available in the modern literature. In this paper we propose a simple technique that allows one to manually compute the exact numbers of fixed-symmetry derivatives for a given structure either with inclusion or ignoring the substitution patterns. The basic idea of the method suggested consists in the derivation of Pólya-like cycle indices for the automorphism groups of specially constructed orbit partition graphs; the expansion of these indices and subsequent simple calculations result in the desired numbers of substituted derivatives with achiral substituents. Limitations of the new technique (and a method suggested earlier) depend on the relevance of the orbit partitions for particular subgroups of the point symmetry group. For illustration purposes, the results obtained for the prismane (D _3h ) and adamantane (T _d ) structures are discussed. In the former case the numbers of substituted derivatives can be found for all subgroups of the D _3h group, whereas in the latter case these numbers can be determined for eight out of eleven subgroups of the T _d point symmetry group. This work is based on the text of the lecture presented by the authors at the 5th All-Russia Conference on Molecular Modeling (Moscow, April 2007). The paper deals with the methodology and detailed treatment of applied aspects related to solution of enumeration problems for substituted derivatives with prescribed symmetry groups. Unlike the known methods of symmetry specified enumeration, the technique suggested is simple enough and may be regarded as generalization of the Pólya methodology, which is widely used by chemists. Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 2, pp. 227–245, February, 2008.     

A general Hsu-Robbins-Erdős Type estimate of tail probabilities of sums of independent identically distributed random variables

Periodica Mathematica Hungarica - Let X 1,X 2,... be a sequence of independent and identically distributed random variables, and put % MATHTYPE!MTEF!2!1!+-%...