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Many applications in computational science and engineering require the computation of eigenvalues and vectors of dense symmetric or Hermitian matrices. For example, in DFT (density functional theory) calculations on modern supercomputers 10% to 30% of the eigenvalues and eigenvectors of huge dense matrices have to be calculated. Therefore, performance and parallel scaling of the used eigensolvers is of upmost interest. In this article different routines of the linear algebra packages ScaLAPACK and Elemental for parallel solution of the symmetric eigenvalue problem are compared concerning their performance on the BlueGene/P supercomputer. Parameters for performance optimization are adjusted for the different data distribution methods used in the two libraries. It is found that for all test cases the new library Elemental which uses a two-dimensional element by element distribution of the matrices to the processors shows better performance than the old ScaLAPACK library which uses a block-cyclic distribution.
Temperature-dependent ranges of coexistence in a model of a two-prey-one-predator microbial food web
(2012)
The objective of our study was to analyze the effects of temperature on the population dynamics of a three-species food web consisting of two prey bacteria (Pedobacter sp. and Acinetobacter johnsonii) and a protozoan predator (Tetrahymena pyriformis) as model organisms. We assessed the effects of temperature on the growth rates of all three species with the objective of developing a model with four differential equations based on the experimental data. The following hypotheses were tested at a theoretical level: Firstly, temperature changes can affect the dynamic behavior of a system by temperature-dependent parameters and interactions and secondly, food web response to temperature cannot be derived from the single species temperature response. The main outcome of the study is that temperature changes affect the parameter range where coexistence is possible within all three species. This has significant consequences on our ideas regarding the evaluation of effects of global warming.
Biodiversity and the coexistence of species have puzzled and fascinated biologists since decades and is a hotspot in todays’ natural sciences. Preserving this biodiversity is a great challenge as habitats and environments underlying tremendous changes like climate change and the loss of natural habitats, which are mainly due to anthropogenic influences. The coexistence of numerous species even in homogeneous environments is a stunning feature of natural communities and has been summarized under the term ‘paradox of plankton’. Up to now, there are several mechanisms discussed, which may contribute to local and global diversity of organisms. Several interspecific trade offs have been identified maintaining the coexistence of species like their abilities regarding competition and predator avoidance, their capability to disperse in space and time, and their ability to exploit variable resources. Further, micro-evolutionary dynamics supporting the coexistence of species have been added to our knowledge, and deriving from theoretical deterministic models, non-linear dynamics which describe the temporal fluctuation of abundances of organisms. Whereas competition and predation seem to be clue structural elements within interacting organisms, the intrinsic dynamic behavior – by means of temporal changes in abundance - plays an important role regarding coexistence within a community. The present work sheds light on different factors affecting the coexistence of species using experimental microbial model systems consisting of a bacterivorous ciliate as the predator and two bacteria strains as prey organism. Additionally, another experimental setup consisting of two up to five bacteria species competing for one limiting resource was investigated. Highly controllable chemostat systems were established to exclude extrinsic disturbances. According to theoretical analyses I was able to show - experimentally and theoretically - that phenotypic plasticity of one species within a microbial one-predator-two-prey food web enlarges the range of possible coexistence of all species under different dynamic conditions, compared to a food web without phenotypic plasticity. This was accompanied by non-linear (chaotic) population dynamics within all experimental systems showing phenotypic plasticity. The experiments on the interplay of competition, predation and invasion showed that all aspects have an influence on species coexistence. Under undisturbed controlled conditions all aspects were analyzed in detail and in combination. Populations showed oscillations which were shown by quasi-chaotic attractors in phase space diagrams. Competition experiments with two up to five bacteria species competing for one limiting resource showed that all organisms were able to coexist which was mediated by species oscillations entering a regime of chaos. Besides that fact it was found, that the productivity (biomass) as well as the total cell numbers – under the same nutrition supply – increased by an increasing number of species in the experimental systems. Up to now, the occurrence of non-linear dynamics in well controlled experimental studies has been recognized several times and this phenomenon seemed to be more common in natural systems than generally assumed.
Additive Manufacturing durch Aufschmelzen von Metallpulvern hat sich auf breiter Front als Herstellverfahren, auch für Endprodukte, etabliert. Besonders für die Variante des Selective Laser Melting (SLM) sind Anwendungen in der Zahntechnik bereits weit verbreitet und der Einsatz in sensitiven Branchen wie der Luftfahrt ist in greifbare Nähe gerückt. Deshalb werden auch vermehrt Anstrengungen unternommen, um bisher nicht verarbeitete Materialien zu qualifizieren. Dies sind vorzugsweise Nicht-Eisen- und Edelmetalle, die sowohl eine sehr hohe Reflektivität als auch eine sehr gute Wärmeleitfähigkeit aufweisen – beides Eigenschaften, die die Beherrschung des Laser-Schmelzprozesses erschweren und nur kleine Prozessfenster zulassen. Die Arbeitsgruppe SLM des Lehr- und Forschungsgebietes Hochleistungsverfahren der Fertigungstechnik hat sich unter der Randbedingung einer kleinen und mit geringer Laserleistung ausgestatteten SLM Maschine der Aufgabe gewidmet und am Beispiel von Silber die Parameterfelder für Einzelspuren und wenig komplexe Geometrien systematisch untersucht. Die Arbeiten wurden von FEM Simulationen begleitet und durch metallographische Untersuchungen verifiziert. Die Ergebnisse bilden die Grundlage zur schnellen Parameterfindung bei komplexen Geometrien und bei Veränderungen der Zusammensetzung, wie sie bei zukünftigen Legierungen zu erwarten sind. Die Ergebnisse werden exemplarisch auf unterschiedliche Geometrien angewandt und entsprechende Bauteile gezeigt.
Im Beitrag wird zunächst das Verfahren eines dynamischen elektro-geometrischen Modells vorgestellt. Dieses arbeitet im Gegensatz zum klassischen Blitzkugel-Verfahren nicht mit konstanten Radien; vielmehr wird der Radius der Blitzkugel variiert. Dabei werden ausschließlich vorhandene und in internationalen Normen anerkannte Ergebnisse, blitzphysikalische Grundlagen und Untersuchungen verwendet, und auf deren Grundlage ein numerisches Verfahren erarbeitet. Mit dem dynamischen elektro-geometrischen Modell werden dann einige Beispiele des Schutzes mit Fangstangen, die gemäß dem klassischen Blitzkugel-Verfahren nach DIN EN 62305-3 für die Schutzklassen I – II – III – IV geplant sind, untersucht. Es wird gezeigt, dass die Einfangwirksamkeiten wesentlich höher sind als in der Normenreihe DIN EN 62305 selbst angegeben. Grund dafür ist die Tatsache, dass das Blitzkugel-Verfahren sehr konservativ aufgebaut ist und dem Planer von Blitzschutzsystemen nur die möglichen Stellen für einen Einschlag aufzeigt, ohne eine Bewertung der Einschlagshäufigkeit zu liefern. Andererseits bedeutet dies jedoch, dass man mit dem klassischen Blitzkugel-Verfahren stets auf der „sicheren Seite“ liegt.
Bioconjugates containing the GnRH-III hormone decapeptide as a targeting moiety are able to deliver chemotherapeutic agents specifically to cancer cells expressing GnRH receptors, thereby increasing their local efficacy while limiting the peripheral toxicity. However, the number of GnRH receptors on cancer cells is limited and they desensitize under continuous hormone treatment. A possible approach to increase the receptor mediated tumor targeting and consequently the cytostatic effect of the bioconjugates would be the attachment of more than one chemotherapeutic agent to one GnRH-III molecule. Here we report on the design, synthesis and biochemical characterization of multifunctional bioconjugates containing GnRH-III as a targeting moiety and daunorubicin as a chemotherapeutic agent. Two different drug design approaches were pursued. The first one was based on the bifunctional [4Lys]-GnRH-III (Glp-His-Trp-Lys-His-Asp-Trp-Lys-Pro-Gly-NH2) containing two lysine residues in positions 4 and 8, whose ϵ-amino groups were used for the coupling of daunorubicin. In the second drug design, the native GnRH-III (Glp-His-Trp-Ser-His-Asp-Trp-Lys-Pro-Gly-NH2) was used as a scaffold; an additional lysine residue was coupled to the ϵ-amino group of 8Lys in order to generate two free amino groups available for conjugation of daunorubicin. The in vitro stability/degradation of all synthesized compounds was investigated in human serum, as well as in the presence of rat liver lysosomal homogenate. Their cellular uptake was determined on human breast cancer cells and the cytostatic effect was evaluated on human breast, colon and prostate cancer cell lines. Compared with a monofunctional compound, both drug design approaches resulted in multifunctional bioconjugates with increased cytostatic effect.
In this article, we report on the heat-transfer resistance at interfaces as a novel, denaturation-based method to detect single-nucleotide polymorphisms in DNA. We observed that a molecular brush of double-stranded DNA grafted onto synthetic diamond surfaces does not notably affect the heat-transfer resistance at the solid-to-liquid interface. In contrast to this, molecular brushes of single-stranded DNA cause, surprisingly, a substantially higher heat-transfer resistance and behave like a thermally insulating layer. This effect can be utilized to identify ds-DNA melting temperatures via the switching from low- to high heat-transfer resistance. The melting temperatures identified with this method for different DNA duplexes (29 base pairs without and with built-in mutations) correlate nicely with data calculated by modeling. The method is fast, label-free (without the need for fluorescent or radioactive markers), allows for repetitive measurements, and can also be extended toward array formats. Reference measurements by confocal fluorescence microscopy and impedance spectroscopy confirm that the switching of heat-transfer resistance upon denaturation is indeed related to the thermal on-chip denaturation of DNA.
Betriebskostenabrechnung - Die Pflicht des Vermieters zur Beachtung des Wirtschaftlichkeitsgebots
(2012)
Mit seiner aktuellen Entscheidung (BGH v. 6.11.2011 – VIII ZR 340/10, MDR 2011, 1095 = MietRB MDR 2011, 337) hat der BGH die Darlegungs- und Beweislast für einen Verstoß gegen das Gebot der Wirtschaftlichkeit bei der Abrechnung von Betriebskosten konkretisiert. Der Beitrag erläutert anhand der Hintergründe des Gebotes der Wirtschaftlichkeit die Konsequenzen für die Praxis.
In this paper we consider low Péclet number flow in bead packs. A series of relaxation exchange experiments has been conducted and evaluated by ILT analysis. In the resulting correlation maps, we observed a collapse of the signal and a translation towards smaller relaxation times with increasing flow rates, as well as a signal tilt with respect to the diagonal. In the discussion of the phenomena we present a mathematical theory for relaxation exchange experiments that considers both diffusive and advective transport. We perform simulations based on this theory and discuss them with respect to the conducted experiments.
This paper describes the implementation of topographic curvature effects within the RApid Mass MovementS (RAMMS) snow avalanche simulation toolbox. RAMMS is based on a model similar to shallow water equations with a Coulomb friction relation and the velocity dependent Voellmy drag. It is used for snow avalanche risk assessment in Switzerland. The snow avalanche simulation relies on back calculation of observed avalanches. The calibration of the friction parameters depends on characteristics of the avalanche track. The topographic curvature terms are not yet included in the above mentioned classical model. Here, we fundamentally improve this model by mathematically and physically including the topographic curvature effects. By decomposing the velocity dependent friction into a topography dependent term that accounts for a curvature enhancement in the Coulomb friction, and a topography independent contribution similar to the classical Voellmy drag, we construct a general curvature dependent frictional resistance, and thus propose new extended model equations. With three site-specific examples, we compare the apparent frictional resistance of the new approach, which includes topographic curvature effects, to the classical one. Our simulation results demonstrate substantial effects of the curvature on the flow dynamics e.g., the dynamic pressure distribution along the slope. The comparison of resistance coefficients between the two models demonstrates that the physically based extension presents an improvement to the classical approach. Furthermore a practical example highlights its influence on the pressure outline in the run out zone of the avalanche. Snow avalanche dynamics modeling natural terrain curvature centrifugal force friction coefficients.
Often, detailed simulations of heat conduction in complicated, porous media have large runtimes. Then homogenization is a powerful tool to speed up the calculations by preserving accurate solutions at the same time. Unfortunately real structures are generally non-periodic, which requires unpractical, complicated homogenization techniques. We demonstrate in this paper, that the application of simple, periodic techniques to realistic media, that are just close to periodic, gives accurate, approximative solutions. In order to obtain effective parameters for the homogenized heat equation, we have to solve a so called “cell problem”. In contrast to periodic structures it is not trivial to determine a suitable unit cell, which represents a non-periodic media. To overcome this problem, we give a rule of thumb on how to choose a good cell. Finally we demonstrate the efficiency of our method for virtually generated foams as well as real foams and compare these results to periodic structures.