A Non-Equilibrium Defect-Unbinding Transition: Defect Trajectories and Loop Statistics

In a Ginzburg-Landau model for parametrically driven waves a transition between a state of ordered and one of disordered spatio-temporal defect chaos is found. To characterize the two different chaotic states and to get insight into the break-down of the order, the trajectories of the defects are tracked in detail. Since the defects are always created and annihilated in pairs the trajectories form loops in space time. The probability distribution functions for the size of the loops and the number of defects involved in them undergo a transition from exponential decay in the ordered regime to a power-law decay in the disordered regime. These power laws are also found in a simple lattice model of randomly created defect pairs that diffuse and annihilate upon collision.Comment: 4 pages 5 figure

Fluid pumped by magnetic stress

A magnetic field rotating on the free surface of a ferrofluid layer is shown to induce considerable fluid motion toward the direction the field is rolling. The measured flow velocity i) increases with the square of the magnetic field amplitude, ii) is proportional to the thickness of the fluid layer, and iii) has a maximum at a driving frequency of about 3 kHz. The pumping speed can be estimated with a two-dimensional flow model.Comment: 3 pages, 4 figure

Optimal Control of the Thermistor Problem in Three Spatial Dimensions

This paper is concerned with the state-constrained optimal control of the three-dimensional thermistor problem, a fully quasilinear coupled system of a parabolic and elliptic PDE with mixed boundary conditions. This system models the heating of a conducting material by means of direct current. Local existence, uniqueness and continuity for the state system are derived by employing maximal parabolic regularity in the fundamental theorem of Pr\"uss. Global solutions are addressed, which includes analysis of the linearized state system via maximal parabolic regularity, and existence of optimal controls is shown if the temperature gradient is under control. The adjoint system involving measures is investigated using a duality argument. These results allow to derive first-order necessary conditions for the optimal control problem in form of a qualified optimality system. The theoretical findings are illustrated by numerical results

Three-Dimensionally Confined Optical Modes in Quantum Well Microtube Ring Resonators

We report on microtube ring resonators with quantum wells embedded as an optically active material. Optical modes are observed over a broad energy range. Their properties strongly depend on the exact geometry of the microtube along its axis. In particular we observe (i) preferential emission of light on the inside edge of the microtube and (ii) confinement of light also in direction of the tube axis by an axially varying geometry which is explained in an expanded waveguide model.Comment: 5 pages, 4 figure

Energetics of positron states trapped at vacancies in solids

We report a computational first-principles study of positron trapping at vacancy defects in metals and semiconductors. The main emphasis is on the energetics of the trapping process including the interplay between the positron state and the defect's ionic structure and on the ensuing annihilation characteristics of the trapped state. For vacancies in covalent semiconductors the ion relaxation is a crucial part of the positron trapping process enabling the localization of the positron state. However, positron trapping does not strongly affect the characteristic features of the electronic structure, e.g., the ionization levels change only moderately. Also in the case of metal vacancies the positron-induced ion relaxation has a noticeable effect on the calculated positron lifetime and momentum distribution of annihilating electron-positron pairs.Comment: Submitted to Physical Review B on 17 April 2007. Revised version submitted on 6 July 200

Stable fourfold configurations for small vacancy clusters in silicon from ab initio calculations

Using density-functional-theory calculations, we have identified new stable configurations for tri-, tetra-, and penta-vacancies in silicon. These new configurations consist of combinations of a ring-hexavacancy with three, two, or one interstitial atoms, respectively, such that all atoms remain fourfold. As a result, their formation energies are lower by 0.6, 1.0, and 0.6 eV, respectively, than the ``part of a hexagonal ring'' configurations, believed up to now to be the lowest-energy states

A Kohn-Sham system at zero temperature

An one-dimensional Kohn-Sham system for spin particles is considered which effectively describes semiconductor {nano}structures and which is investigated at zero temperature. We prove the existence of solutions and derive a priori estimates. For this purpose we find estimates for eigenvalues of the Schr\"odinger operator with effective Kohn-Sham potential and obtain $W^{1,2}$-bounds of the associated particle density operator. Afterwards, compactness and continuity results allow to apply Schauder's fixed point theorem. In case of vanishing exchange-correlation potential uniqueness is shown by monotonicity arguments. Finally, we investigate the behavior of the system if the temperature approaches zero.Comment: 27 page

Modeling the momentum distributions of annihilating electron-positron pairs in solids

Measuring the Doppler broadening of the positron annihilation radiation or the angular correlation between the two annihilation gamma quanta reflects the momentum distribution of electrons seen by positrons in the material.Vacancy-type defects in solids localize positrons and the measured spectra are sensitive to the detailed chemical and geometric environments of the defects. However, the measured information is indirect and when using it in defect identification comparisons with theoretically predicted spectra is indispensable. In this article we present a computational scheme for calculating momentum distributions of electron-positron pairs annihilating in solids. Valence electron states and their interaction with ion cores are described using the all-electron projector augmented-wave method, and atomic orbitals are used to describe the core states. We apply our numerical scheme to selected systems and compare three different enhancement (electron-positron correlation) schemes previously used in the calculation of momentum distributions of annihilating electron-positron pairs within the density-functional theory. We show that the use of a state-dependent enhancement scheme leads to better results than a position-dependent enhancement factor in the case of ratios of Doppler spectra between different systems. Further, we demonstrate the applicability of our scheme for studying vacancy-type defects in metals and semiconductors. Especially we study the effect of forces due to a positron localized at a vacancy-type defect on the ionic relaxations.Comment: Submitted to Physical Review B on September 1 2005. Revised manuscript submitted on November 14 200