Showing papers by "Technical University of Berlin published in 1996"

Direct formation of vertically coupled quantum dots in Stranski-Krastanow growth.

Abstract: Alternate short-period GaAs-InAs deposition following InAs pyramid formation on a GaAs (100) surface leads to the creation of vertically split pyramids. This splitting is driven by the energetics of the Stranski-Krastanow growth mode. The strain energy is reduced due to the successive transfer of InAs from the buried part of the pyramid to the uncovered part. The resulting arrangement represents a laterally ordered array of nanoscale structures inserted in a GaAs matrix, where each structure is composed of several vertically merging InAs parts. Results of optical studies demonstrate the expected electronic coupling in vertical direction. Coupling is found to decrease the radiative lifetime and to result in low-energy shifts of the corresponding peaks in luminescence and absorption spectra. Vertically coupled quantum dots exhibit injection lasing at very low current densities. \textcopyright{} 1996 The American Physical Society.

Graph grammars with negative application conditions

Abstract: In each graph-grammar approach it is defined how and under which conditions graph productions can be applied to a given graph in order to obtain a derived graph. The conditions under which productions can be applied are called application conditions. Although the generative power of most of the known general graph-grammar approaches is sufficient to generate any recursively enumerable set of graphs, it is often convenient to have specific application conditions for each production. Such application conditions, on the one hand, include context conditions like the existence or non-existence of nodes, edges, or certain subgraphs in the given graph as well as embedding restrictions concerning the morphisms from the left-hand side of the production to the given graph. In this paper, the concept of application conditions introduced by Ehrig and Habel is restricted to contextual conditions, especially negative ones. In addition to the general concept, we state local confluence and the Parallelism Theorem for derivations with application conditions. Finally we study context-free graph grammars with application conditions with respect to their generative power.

A Nonribosomal System of Peptide Biosynthesis

Abstract: This review covers peptide structures originating from the concerted action of enzyme systems without the direct participation of nucleic acids. Biosynthesis proceeds by formation of linear peptidyl intermediates which may be enzymatically modified as well as transformed into specific cyclic structures. The respective enzyme systems are constructed of biosynthetic modules integrated into multienzyme structures. Genetic and DNA-sequence analysis of biosynthetic gene clusters have revealed extensive similarities between prokaryotic and eukaryotic systems, conserved principles of organisation, and a unique mechanism of transport of intermediates during elongation and modification steps involving 4′-phosphopantetheine. These similarities permit the identification of peptide synthetases and related aminoacyl-ligases and acyl-ligases from sequence data. Similarities to other biosynthetic systems involved in the assembly of polyketide metabolites are discussed.

Photosystem I at 4 A resolution represents the first structural model of a joint photosynthetic reaction centre and core antenna system.

Abstract: The 4 A X-ray structure model of trimeric photosystem I of the cyanobacterium Synechococcus elongatus reveals 31 transmembrane, nine surface and three stromal alpha-helices per monomer, assigned to the 11 protein subunits: PsaA and PsaB are related by a pseudo two-fold axis normal to the membrane plane, along which the electron transfer pigments are arranged. 65 antenna chlorophyll a (Chl a) molecules separated by < or = 16 A form an oval, clustered net continuous with the electron transfer chain through the second and third Chl a pairs of the electron transfer system. This suggests a dual role for these Chl a both in excitation energy and electron transfer. The architecture of the protein core indicates quinone and iron-sulphur type reaction centres to have a common ancestor.

Improving the calibration of dielectric TDR soil moisture determination taking into account the solid soil

Abstract: Summary The influence of soiľs solid phase on the dielectric constant of the soil over a range of moisture contents has been studied. Samples of soil, soil-like, and also other porous materials were analysed using Time Domain Reflectometry (TDR) to determine the contribution of bulk density and porosity to the function that relates dielectric constant to water content. The study showed that bulk density, and thus also porosity, substantially affects the relation between dielectric constant and water content. Two equivalent, empirical, normalized conversion functions were found, one accounting for bulk density and the other for porosity. Each of them reduced the root mean square error of the dielectric TDR determinations of moisture to 0.03, regardless of the materialľs bulk density and porosity.

Mechanism for the formation of elemental sulfur from aqueous sulfide in chemical and microbiological desulfurization processes

Abstract: A detailed reaction mechanism is proposed for the formation of crystalline elemental sulfur from aqueous sulfide by oxidation with transition-metal ions like VV, FeIII, CuII, etc. The first step is the formation of HS• radicals by one-electron oxidation of HS- ions. These radicals exist at pH values near 7 mainly as S•-. Their spontaneous decay results in the formation of the disulfide ion S22-. The further oxidation of disulfide either by S•- radicals or by the transition-metal ions yields higher polysulfide ions from which the homocyclic sulfur molecules S6, S7, and S8 are formed. In water these hydrophobic molecules form clusters which grow to droplets of liquid sulfur (sulfur sol). Depending on the composition of the aqueous phase, crystallization of the liquid sulfur as either α- or β-S8 is rapid or delayed. Surfactants delay this solidification, while certain cations promote it. All these reactions are proposed to take place in desulfurization plants working by the Stretford, Sulfolin, Lo-Cat, SulFe...

Effects of high pressures treatment on starches

Abstract: The effects of ultra-high pressure (UHP) on 25 starches were characterized via microscopy and DSC. Furthermore, the swelling behaviour, digestibility, paste viscosity and gel formation was determined. With few exceptions B-starches were shown to be more pressure resistant than A- and C-type starches. The pressure range in which the gelatinization occurs is typical for the corresponding starch. Only some starches (e.g. waxy corn starch) show the extensive swelling and almost complete desintegration of the granules, which usually is observed after a heat gelatinization. Typical for a UHP-gelatinization is, that most starches show very little swelling and maintain their granular character. These starches develope very little viscosity at normal paste concentrations and form pastes of smooth texture, resp. rigid gels at concentrations above 15%. Due to the limited swelling without any resp. very little solubilization of the amylose obviously the retrogradation occurs within the granules, which probably is a further reason for the quite different paste and gel properties of UHP-gelatinized starches in comparison to heat gelatinized ones.

Handbook of image processing operators

Abstract: Images, Windows and Operators. Methodical Fundamentals. Algorithmic Fundamentals. Coordinate Transformations and Geometrical Operators. Gray Scale Transformations and Point Operators. Window Functions and Local Operators. Global Operators. Glossary. Index.

Intelligent agents: an emerging technology for next generation telecommunications?

Abstract: The telecommunications environment is changing its face towards an open market of information services where the vision is "information any time, at any place, in any form". Within this electronic market the aspects of service customization and instant service provision are of fundamental importance. In this context a new paradigm is gaining momentum referred to as "intelligent agents". This paper provides an overview of the emerging field of intelligent agents (IAs) by identifying their basic properties. Focusing on mobile agents, which could be considered as a specific class of intelligent agents, we identify the chances of agent technology in the context of telecommunications. We look at their potential impacts on open service architectures, intelligent communications and network management.

Pressure Induced Inactivation of Selected Food Enzymes

Abstract: Pectinesterase, lipase, polyphenol oxidase, lipoxygenase, peroxidase, lactoperoxidase, phosphatase and catalase have been examined at distinct conditions within a pressure range of 0.1 to 900 MPa, temperatures from 25°C to 60°C, pH 3 to 7, and time of treatment of 2 min to 45 min. Results in model buffers made it possible to rank the enzymes according to their pressure induced inactivation in the following order : lipoxygenase, lactoperoxidase, pectinesterase, lipase, phosphatase, catalase, polyphenol oxidase, peroxidase. A combination of pressure with moderate temperature increased the degree of enzyme inactivation. Pressure treatment of real food systems showed a protective effect of food ingredients on the pressure inactivation of most enzymes evaluated. For example sucrose protected pectinesterase from inactivation by pressure while lactoperoxidase and lipoxigenase were as stable in milk as in buffer.

Characterization of bacterial communities from activated sludge: Culture-dependent numerical identification versus in situ identification using group- and genus-specific rRNA-targeted oligonucleotide probes

Abstract: The structures of bacterial communities were studied in activated sludge samples obtained from the aerobic and anaerobic zones of a wastewater treatment plant showing enhanced phosphorous removal. Samples were analyzed by in situ hybridization with oligonucleotide probes complementary to selected regions of the 16S and 23S ribosomal RNA (rRNA) characteristic for defined phylogenetic entities (genera and larger groups). The microbial community structures revealed by molecular techniques were compared with the compositions of culturable bacterial communities, obtained from the characterization of 255 isolates from tryptone-soy (TS) agar and R2A agar. These isolates were characterized by 89 physiological tests and their cellular fatty acid patterns, and identified. Culture-dependent techniques indicated the following distribution: different Aeromonas spp. (2.7–8.3% on R2A agar; 45.0–63.7% on TS agar), Acinetobacter spp. (5.4–9.0% on R2A agar; 5.0–9.1% on TS agar), Pseudomonas spp. (up to 10% on R2A agar) and Shewanella putrefaciens (up to 3.0% on R2A agar), all members of the gamma subclass of Proteobacteria, were isolated most frequently. The relatively rare isolates of the beta subclass were identified as Acidovorax spp., Alcaligenes spp., and Comamonas spp., The Gram-positive bacteria (high DNA G+C) were assigned mainly to Arthrobacter spp., Microbacterium spp., and Mycobacterium phlei. In order to assess the in situ abundance of the most frequently isolated genus, Aeromonas, two rRNA-targeted oligonucleotide probes were developed. The two gamma proteobacterial genera Aeromonas and Acinetobacter constituted less than 5% of all bacteria. In situ, Proteobacteria belonging to the beta subclass and high G+C Gram-positive bacteria were dominant. From filamentous bacteria, Sphaerotilus spp. and Leptothrix spp. could be detected occasionally. In addition, one sample contained a high proportion of the morphologically distinct filaments of Microthrix parvicella.

Determination of Interfacial Tension from the Profile of a Pendant Drop Using Computer-Aided Image Processing

Abstract: The reliability of the method described in the preceding paper (B. Song and J. Springer, J. Colloid Interface Sci. 183, in press, 1996) for the determination of surface and interfacial tension (IFT) of liquid-fluid systems from the profile of a pendant drop has been studied experimentally. Influences on the resultant IFT values from factors such as the location of the drop profile and illumination conditions are considered. The reproducibility and accuracy of the measurement method were examined by measuring the time dependence of polyethylene glycol (PEG600)/air and water/air systems and by determining the temperature dependence of the polyethylene glycol (PEG6000)/N2 and LD (low-density) polyethylene/N2 systems. The effect of drop vibrations on the accuracy of the method is discussed.

A Comparative Computational Study of Cationic Coinage Metal−Ethylene Complexes (C2H4)M+ (M = Cu, Ag, and Au)

Abstract: The cationic (C2H4)M+ complexes (M = Cu, Ag, and Au) have been examined by different ab initio molecular orbital, density functional (DFT), and density functional/Hartree−Fock (DFT/HF) hybrid methods using relativistic effective core potentials and a quasi-relativistic approach to account for relativistic effects. For (C2H4)Au+ a substantial relativistic stabilization is observed, such that the computed binding energies are almost twice as high than for (C2H4)Ag+ and still significantly higher than for (C2H4)Cu+. Structural features and energetics obtained at the various computational levels, although they differ significantly in their computational demands, are in satisfying agreement with each other, adding to the level of confidence that can be attributed to the computationally economic DFT and DFT/HF hybrid methods. In order to determine the nature of the bonding in these (C2H4)M+ complexes, an energy decomposition scheme is applied to the DFT results. For all three metal cations, the interaction with...

Ordered arrays of quantum dots: Formation, electronic spectra, relaxation phenomena, lasing

Abstract: Elastic relaxation on facet edges, renormalization of the surface energy of the facets, and interaction between i&no3 via the strained substrate are the driving forces for self-organization of ordered arrays of uniform coherent three-dimensional is/a& on crystal surfaces. For a (100) surface of a cubic crystal, two-dimensional square lattice of pyramid-like islands (quantum dots) with the periodicity along the directions of the lowest stiffness (OlO) and (OOI) has the minimum energy among different one-dimen- sional and two-dimensional arrays. For the InAs/GaAs(lOO) system, an equilibrium array of dots of the lateral size _ 120-140 A exists in a fixed range of growth parameters. T'he main luminescence peak at 1.1 eV, as well as peaks of excited states coincide in energy with the peaks revealed in the calorimetric absorption spectra regardless of the amount of InAs deposited (2-5 ML). Raman spectra indicate significant strain in InAs dots. The "phonon bottleneck" effect is bypassed via multi-phonon exciton and carrier relaxation. Ultranarrow lines (< 0.15 meV) are observed in cathodoluminescence spectra up to high temperatures. Low threshold current density operation via zero-dimensional states and ultrahigh temperature stability of the threshold current (T, = 450 K) are realized for a quantum dot injection laser. Increase in the gain and significant reduction in the radiative lifetime are possible via the self-organization of vertically-coupled quantum dots (VECODs) arranged in a well ordered artificial three-dimensional tefragonal lattice.

Simulation studies promote technological development of radiofrequency phased array hyperthermia.

Abstract: A treatment planning program package for radiofrequency hyperthermia has been developed. It consists of software modules for processing three-dimensional computerized tomography (CT) data sets, manual segmentation, generation of tetrahedral grids, numerical calculation and optimisation of three-dimensional E field distributions using a volume surface integral equation algorithm as well as temperature distributions using an adaptive multilevel finite-elements code, and graphical tools for simultaneous representation of CT data and simulation results. Heat treatments are limited by hot spots in healthy tissues caused by E field maxima at electrical interfaces (bone/muscle). In order to reduce or avoid hot spots suitable objective functions are derived from power deposition patterns and temperature distributions, and are utilised to optimise antenna parameters (phases, amplitudes). The simulation and optimisation tools have been applied to estimate the improvements that could be reached by upgrades of the clinically used SIGMA-60 applicator (consisting of a single ring of four antenna pairs). The investigated upgrades are increased number of antennas and channels (triple-ring of 3 x 8 antennas and variation of antenna inclination. Significant improvement of index temperatures (1-2 degrees C) is achieved by upgrading the single ring to a triple ring with free phase selection for every antenna or antenna pair. Antenna amplitudes and inclinations proved as less important parameters.

Improved Scheduling Algorithms for Minsum Criteria

Abstract: We consider the problem of finding near-optimal solutions for a variety of NP-hard scheduling problems for which the objective is to minimize the total weighted completion time. Recent work has led to the development of several techniques that yield constant worst-case bounds in a number of settings. We continue this line of research by providing improved performance guarantees for several of the most basic scheduling models, and by giving the first constant performance guarantee for a number of more realistically constrained scheduling problems. For example, we give an improved performance guarantee for minimizing the total weighted completion time subject to release dates on a single machine, and subject to release dates and/or precedence constraints on identical parallel machines. We also give improved bounds on the power of preemption in scheduling jobs with release dates on parallel machines.

Scheduling to Minimize Total Weighted Completion Time: Performance Guarantees of LP-Based Heuristics and Lower Bounds

Abstract: There has been recent success in using polyhedral formulations of scheduling problems not only to obtain good lower bounds in practice but also to develop provably good approximation algorithms. Most of these formulations rely on binary decision variables that are a kind of assignment variables. We present quite simple polynomialtime approximation algorithms that are based on linear programming formulations with completion time variables and give the best known performance guarantees for minimizing the total weighted completion time in several scheduling environments. This amplifies the importance of (appropriate) polyhedral formulations in the design of approximation algorithms with good worst-case performance guarantees.

How Does Fe+ Activate C−C and C−H Bonds in Ethane? A Theoretical Investigation Using Density Functional Theory†

Abstract: The potential energy surface (PES) corresponding to the reaction of the iron cation with ethane, which represents a prototype of the activation of C−C and C−H bonds in alkanes by transition metal cations, has been investigated employing the recently suggested hybrid density functional theory/Hartree−Fock method (B3LYP) combined with reasonably large one-particle basis sets. The performance of this computational approach has been calibrated against experimentally known Fe+−R binding energies of fragments R relevant to the [Fe,C2,H6]+ PES and against the relative energies of the possible exit channels. Both the C−C and C−H bond activation branches of the PES are characterized by a low barrier for the first step, the insertion of the iron cation into a C−C and C−H bond, respectively. Rate determining are the second steps which in the C−C bond activation branch corresponds to an [1,3]-H shift leading to a complex between FeCH2+ and methane. Along the C−H activation reaction coordinate, no transition state cor...

0.1 dB/cm waveguide losses in single-mode SOI rib waveguides

Abstract: Waveguide losses as low as 0.1 dB/cm at a wavelength of /spl lambda/=1.3 /spl mu/m have been achieved in SOI rib waveguides fabricated by wet chemical etching. The single-mode waveguides have a large cross section yielding field mismatch losses to a standard single-mode fiber of only 0.17 dB/facet (both polarizations). Polarization independent fiber-chip-fiber insertion losses of 0.9 dB (best 0.5 dB) at a chip length of 60 mm have been measured.

From Topographies to Dynamics on Multidimensional Potential Energy Surfaces of Atomic Clusters

Abstract: Multidimensional potential energy surfaces for systems larger than about 15 atoms are so complex that interpreting their topographies and the consequent dynamics requires statistical analyses of their minima and saddles. Sequences of minimum-saddle-minimum points provide a characterization of such surfaces. Two examples, Ar19 and (KCI)32, illustrate how topographies govern tendencies to form glasses or “focused” structures, for example, crystals or folded proteins. Master equations relate topographies to dynamics. The balance between glass-forming and structure-seeking characters of a potential energy surface seems governed by sawtooth versus staircase topography and the associated collectivity of the growth process after nucleation.

Exciton fine structure in undoped GaN epitaxial films.

Abstract: We report on photoluminescence experiments on hexagonal GaN epitaxial films grown by hydride and organometallic vapor phase epitaxy on sapphire and 6H-SiC. At low temperatures we observe free and bound exciton recombinations, which allow us to establish the free-exciton binding energy and the localization energies of the excitons bound to neutral donors in undoped films. We demonstrate that the energetic positions of the excitonic recombination lines depend on the layer thickness and the substrate materials on which the layer was deposited. The influence of strain on the valence-band splittings can be quantified when observing the free-exciton transitions onto the different valence bands. The experimental results are compared to a theoretical calculation using a first-principle total-energy pseudopotential method within the local-density formalism. We present evidence for the existence of two shallow donors in GaN. One of them most likely stems from an intrinsic defect. \textcopyright{} 1996 The American Physical Society.