Mixed crystalline films of co-evaporated hydrogen- and fluorine-terminated phthalocyanines and their application in photovoltaic devices

Blends of organic electron and hole conductive materials are widely used for ambipolar charge carrier transport and photovoltaic cells. An obvious choice for donor–acceptor blends are organic semiconducting materials in their hydrogenated and fluorinated form, since they combine potentially suitable electronic properties with structural compatibility of the two constituents. This study focuses on the structural, optical, and electrical properties of blends using hydrogenated copper-phthalocyanine (H₁₆CuPc) in combination with its per-fluorinated version (F₁₆CuPc). Using X-ray scattering, scanning force microscopy and optical absorption measurements we show that mixed crystalline films are obtained by co-evaporation of the two materials. Electrical transport measurements reveal a profound reduction of the current for bipolar charge injection in mixed films. We discuss the formation of self-trapped charge transfer excitons as possible explanation for this unexpected behaviour, which impedes the usability of this system in photovoltaic cells.     

Application of the Tauc-Lorentz formulation to the interband absorption of optical coating materials

Recent progress in ellipsometry instrumentation permits precise measurement and characterization of optical coating materials in the deep-UV wavelength range. Dielectric coating materials exhibit their first electronic interband transition in this spectral range. The Tauc-Lorentz model is a powerful tool with which to parameterize interband absorption above the band edge. The application of this model for the parameterization of the optical absorption of TiO2, Ta2O5, HfO2, Al2O3, and LaF3 thin-film materials is described.     

Miniature cylindrical ion trap mass spectrometer

A miniature cylindrical ion trap mass spectrometer is described, and preliminary data are presented. Functionality and performance of laboratory-scale instruments have been maintained to the extent possible in this battery-operated mass spectrometer. Capabilities include tandem mass spectrometry experiments. Custom-designed electronic components include the RF scanning and amplification system, data acquisition components, and lens power supplies, as well as a custom-software application. Direct leak and membrane introduction inlet systems are used for sample introduction. A mass/charge range of approximately 250 Th with unit mass resolution has been demonstrated.     

Compression-based fixed-parameter algorithms for feedback vertex set and edge bipartization

We show that the NP-complete Feedback Vertex Set problem, which asks for the smallest set of vertices to remove from a graph to destroy all cycles, is deterministically solvable in O(ck⋅m) time. Here, m denotes the number of graph edges, k denotes the size of the feedback vertex set searched for, and c is a constant. We extend this to an algorithm enumerating all solutions in O(dk⋅m) time for a (larger) constant d. As a further result, we present a fixed-parameter algorithm with runtime O(k²⋅m²) for the NP-complete Edge Bipartization problem, which asks for at most k edges to remove from a graph to make it bipartite.     

Singular value decomposition improves accuracy and reliability of T-septum waveguide field-matching analysis

A singular value decomposition (SVD) is used to solve the characteristic matrix equation of 2 different field-matching analyses as applied to T-septum waveguide structures. It is demonstrated that SVD avoids the need for complicated numerical zero-detection algorithms, eliminates the major disadvantages of the classical field-matching technique, and hence, improves the accuracy and reliability of the computed results. The values obtained are in close agreement with available theoretical data and measurements.     

Einfluß einiger Legierungselemente auf die Festigkeitssteigerung von Stählen durch eine Austenitformhärtung

Zugversuche mit Ermittlung der üblichen Kennwerte und teils auch der 0,01-Grenze an austenitformgehärteten, anschlieβend bis zu 700°C angelassenen und an nach der gleichen Temperatur-Zeit-Folge “lediglich” vergüteten Proben aus fünf Stählen mit jeweils rd. 0,35% C, 5% Cr und dazu Legierungsanteilen in wechselnder Kombination von 1,6% Si, 3,0 bis 3,25% Co und 3,15 bis 3,3% Ni. Erörterung der Ergebnisse vor allem mit Folgerungen über die bei unterschiedlichem Umformgrad der Austenitformhärtung im Gefüge maβgeblichen Verfestigungsvorgänge.     

Large-scale grid-enabled lattice Boltzmann simulations of complex fluid flow in porous media and under shear

Well-designed lattice Boltzmann codes exploit the essentially embarrassingly parallel features of the algorithm and so can be run with considerable efficiency on modern supercomputers. Such scalable codes permit us to simulate the behaviour of increasingly large quantities of complex condensed matter systems. In the present paper, we present some preliminary results on the large-scale three-dimensional lattice Boltzmann simulation of binary immiscible fluid flows through a porous medium, derived from digitized X-ray micro-tomographic data of Bentheimer sandstone, and from the study of the same fluids under shear. Simulations on such scales can benefit considerably from the use of computational steering, and we describe our implementation of steering within the lattice Boltzmann code, called LB3D, making use of the RealityGrid steering library. Our large-scale simulations benefit from the new concept of capability computing, designed to prioritize the execution of big jobs on major supercomputing resources. The advent of persistent computational grids promises to provide an optimal environment in which to deploy these mesoscale simulation methods, which can exploit the distributed nature of computer, visualization and storage resources to reach scientific results rapidly; we discuss our work on the grid-enablement of lattice Boltzmann methods in this context.