TDPAC and first-principles study of electronic and structural properties of a Pd-vacancy complex in undoped germanium

Pd is one of the metals suitable for inducing low-temperature crystallization in Ge. However, it is not clear how residual Pd atoms are integrated into the Ge lattice. Therefore, time-differential γ–γ perturbed angular correlations (TDPAC) technique using the ¹⁰⁰Pd(→¹⁰⁰Rh) nuclear probe produced by recoil implantation has been applied to study the hyperfine interactions of this probe in single-crystalline undoped Ge. A Pd-vacancy complex aligned along the <111> crystallographic direction with a unique interaction frequency of 8.4(5) Mrad/s has been identified. This complex was measured to have a maximum relative fraction of about 76(4)% following annealing at 350 ^°C. Further annealing at higher temperatures reduced this fraction, possibly via dissociation of the complex. Calculations suggest dissociation energy of 1.94(5) eV for the complex. DFT calculations performed in this work are in reasonable good agreement with the experimental values for the electric-field gradient of the defect complex in Ge and Si for comparison. The calculations predict a split-vacancy configuration with the Pd on a bond-centred interstitial site having a nearest-neighbour semi-vacancy on both sides (V-Pd_BI-V) in Ge and Si.     

On Direct Transformation Approach to Asymptotical Analytical Solutions of Perturbed Partial Differential Equation

In this article, we will derive an equality, where the Taylor series expansion around ε = 0for any asymptotical analytical solution of the perturbed partial differential equation (PDE) with perturbing parameter ε must be admitted.By making use of the equality, we may obtain a transformation, which directly map the analytical solutions of a given unperturbed PDE to the asymptotical analytical solutions of the corresponding perturbed one. The notion of Lie-B(a)cklund symmetries is introduced in order to obtain more transformations. Hence, we can directly create more transformations in virtue of known Lie-B(a)cklund symmetries and recursion operators of corresponding unperturbed equation. The perturbed Burgers equation and the perturbed Korteweg-de Vries (KdV) equation are used as examples.     

Mutual solubilities of hydrocarbons and water with the CPA EoS

The knowledge of hydrocarbon/water phase equilibria is important in the design and operation of equipment for petroleum transport and refining and petrochemical plants. The presence of water in a hydrocarbon mixture can affect the product quality and damage the operation equipment due to corrosion and formation of gas hydrates. Tracing the concentration of hydrocarbons in aqueous media is also important for technical purposes like preventing oil spills and for ecological concerns such as predicting the fate of these organic pollutants in the environment.     

Perturbed recurrence relations II the general case

In this paper, we give some new explicit relations between two families of polynomials defined by recurrence relations of all order. These relations allow us to analyze, even in the Sobolev case, how some properties of a family of orthogonal polynomials are affected when the coefficients of the recurrence relation and the order are perturbed. In a paper we have already given a method which allows us to study the polynomials defined by a three-term recurrence relation. Also here some generalizations are given.     

Scattering from infinite rough tubular surfaces

We study the Helmholtz equation in the exterior of an infinite perturbed cylinder with a Dirichlet boundary condition. Existence and uniqueness of solutions are established using the variational technique introduced (SIAM J. Math. Anal. 2005; 37 (2):598–618). We also provide stability estimates with explicit dependence of the constants in terms of the frequency and the perturbed cylinder thickness. Copyright © 2006 John Wiley & Sons, Ltd.     

扰动周期KdV方程的小波基分析

本文利用样条小波基构造近似惯性流形来研究扰动周期ＫｄＶ方程的长期动力学行为·     

A posteriori H1 error estimation for a singularly perturbed reaction diffusion problem on anisotropic meshes

The paper deals with a singularly perturbed reaction diffusionmodel problem. The focus is on reliable a posteriori error estimatorsfor the H¹ seminorm that can be applied to anisotropic finiteelement meshes. A residual error estimator and a local problemerror estimator are proposed and rigorously analysed. They arelocally equivalent, and both bound the error reliably. Threemodifications of these estimators are introduced and discussed. Much attention is given to the performance of the error estimatorin numerical experiments. This helps to identify those estimatorsthat are suitable for practical applications.     

指数二分性与自治奇摄动系统的退化同宿分支

利用指数二分性理论和泛函分析方法，我们研究了自治奇摄动系统的同，异宿轨道的存在性，给出了高维奇摄动系统从退化系统分支出同异宿轨道的Ｍｅｌ－ｎｉｋｏｖ型函数。     

Travelling, non-periodic patterns in nonlinear stability problems

In this short note we present results on the existence of several classes of travelling, non-periodic solutions of the complex Ginzburg-Landau equation. First we give a very short introduction to the G-L equation and show its importance in nonlinear stability theory. We then study the G-L equation with complex coefficients and establish the existence of a 2-parameter family of quasi-periodic solutions and two different types of one-parameter families of heteroclinic orbits; all members of these families travel with a well-defined wave-speed. The heteroclinic solutions correspond to (travelling) soliton-like localized structures which connect different (stable) periodic patterns. Mathematically, these families of travelling solutions (quasi-periodic and heteroclinic) are continuations into the complex case of the stationary solutions of the real G-L equation.