TY - JOUR A1 - Grotendorst, Johannes T1 - IAS Winter School: Hierarchical Methods for Dynamics in Complex Molecular Systems JF - Innovatives Supercomputing in Deutschland : inSiDE. 10 (2012), H. 1 Y1 - 2012 SP - 104 PB - - ER - TY - BOOK A1 - Grotendorst, Johannes T1 - Hierarchical methods for dynamics in complex molecular systems : IAS Winter School, 5 - 9 March 2012, Forschungszentrum Jülich GmbH ; lecture notes / ed. by Johannes Grotendorst, Godehard Sutmann, Gerhard Gompper, Dominik Marx Y1 - 2012 SN - 978-3-89336-768-9 N1 - (Schriften des Forschungszentrums Jülich IAS Series 10) PB - Forschungszentrum Jülich CY - Jülich ER - TY - JOUR A1 - Gutheil, Inge A1 - Berg, Tommy A1 - Grotendorst, Johannes T1 - Performance Analysis of Parallel Eigensolvers of two Libraries on BlueGene/P JF - Journal of Mathematics and Systems Science N2 - 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. KW - performance analysis KW - Elemental KW - ScaLAPACK KW - eigensolvers KW - Numerical linear algebra Y1 - 2012 U6 - http://dx.doi.org/10.17265/2159-5291/2012.04.003 SN - 2159-5291 VL - 2 IS - 4 SP - 231 EP - 236 PB - David Publishing CY - Libertyville ER - TY - JOUR A1 - Hasan, Istabrak A1 - Keil, Ludger A1 - Staat, Manfred A1 - Wahl, Gerhard A1 - Bourauel, Christoph T1 - Determination of the frictional coefficient of the implant-antler interface : experimental approach JF - Biomedical Engineering / Biomedizinische Technik N2 - The similar bone structure of reindeer antler to human bone permits studying the osseointegration of dental implants in the jawbone. As the friction is one of the major factors that have a significant influence on the initial stability of immediately loaded dental implants, it is essential to define the frictional coefficient of the implant-antler interface. In this study, the kinetic frictional forces at the implant-antler interface were measured experimentally using an optomechanical setup and a stepping motor controller under different axial loads and sliding velocities. The corresponding mean values of the static and kinetic frictional coefficients were within the range of 0.5–0.7 and 0.3–0.5, respectively. An increase in the frictional forces with increasing applied axial loads was registered. The measurements showed an evidence of a decrease in the magnitude of the frictional coefficient with increasing sliding velocity. The results of this study provide a considerable assessment to clarify the suitable frictional coefficient to be used in the finite element contact analysis of antler specimens. Y1 - 2012 SN - 1862-278X VL - 57 IS - 5 SP - 359 EP - 363 PB - De Gruyter CY - Berlin ER - TY - JOUR A1 - Huck, Christina A1 - Poghossian, Arshak A1 - Wagner, Patrick A1 - Schöning, Michael Josef T1 - Combined amperometric/field-effect sensor for the detection of dissolved hydrogen JF - Sensors and actuators B: Chemical N2 - Real-time and reliable monitoring of the biogas process is crucial for a stable and efficient operation of biogas production in order to avoid digester breakdowns. The concentration of dissolved hydrogen (H₂) represents one of the key parameters for biogas process control. In this work, a one-chip integrated combined amperometric/field-effect sensor for monitoring the dissolved H₂ concentration has been developed for biogas applications. The combination of two different transducer principles might allow a more accurate and reliable measurement of dissolved H₂ as an early warning indicator of digester failures. The feasibility of the approach has been demonstrated by simultaneous amperometric/field-effect measurements of dissolved H₂ concentrations in electrolyte solutions. Both, the amperometric and the field-effect transducer show a linear response behaviour in the H₂ concentration range from 0.1 to 3% (v/v) with a slope of 198.4 ± 13.7 nA/% (v/v) and 14.9 ± 0.5 mV/% (v/v), respectively. Y1 - 2012 U6 - http://dx.doi.org/10.1016/j.snb.2012.10.050 SN - 0925-4005 N1 - Part of special issue "Selected Papers from the 14th International Meeting on Chemical Sensors" VL - 187 SP - 168 EP - 173 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Iken, Heiko A1 - Kirsanov, D. A1 - Legin, A. A1 - Schöning, Michael Josef T1 - Novel Thin-Film Polymeric Materials for the Detection of Heavy Metals JF - Procedia Engineering N2 - A variety of transition metals, e.g., copper, zinc, cadmium, lead, etc. are widely used in industry as components for wires, coatings, alloys, batteries, paints and so on. The inevitable presence of transition metals in industrial processes implies the ambition of developing a proper analytical technique for their adequate monitoring. Most of these elements, especially lead and cadmium, are acutely toxic for biological organisms. Quantitative determination of these metals at low activity levels in different environmental and industrial samples is therefore a vital task. A promising approach to achieve an at-side or on-line monitoring on a miniaturized and cost efficient way is the combination of a common potentiometric sensor array with heavy metal-sensitive thin-film materials, like chalcogenide glasses and polymeric materials, respectively. Y1 - 2012 U6 - http://dx.doi.org/10.1016/j.proeng.2012.09.148 SN - 1877-7058 N1 - Part of special issue "26th European Conference on Solid-State Transducers, EUROSENSOR 2012" IS - 47 SP - 322 EP - 325 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Kern, Alexander A1 - Schelthoff, Christof A1 - Mathieu, Moritz T1 - Detaillierte Berechnung der Einfangwirksamkeiten von Fangeinrichtungen JF - Elektro-Praktiker N2 - 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. Y1 - 2012 SN - 0013-5569 VL - 66 IS - 4 PB - Huss Medien CY - Berlin ER - TY - JOUR A1 - Kirchhof, Michael A1 - Kraft, Bodo T1 - Hybrides Vorgehensmodell : Agile und klassische Methoden im Projekt passend kombinieren JF - ProjektMagazin N2 - Agil ist im Trend und immer mehr Unternehmen, die ihre Projekte bisher nach klassischen Prinzipien durchführten, denken über den Einsatz agiler Methoden nach. Doch selbst wenn die Organisation bereits beide Philosophien unterstützt, gilt für ein Projekt meist die klare Vorgabe: agil oder klassisch. Es gibt aber noch einen anderen Ansatz, mit diesen "unterschiedlichen Welten" umzugehen: Und zwar die beiden Philosophien innerhalb eines Projekts zu kombinieren. Wie dies in der Praxis aussehen und gelingen kann, zeigen Dr. Michael Kirchhof und Prof. Dr. Bodo Kraft in diesem Beitrag. Y1 - 2012 IS - 11 SP - 11 S. PB - Berleb Media CY - Taufkirchen ER - TY - JOUR A1 - Kirchner, Patrick A1 - Oberländer, Jan A1 - Friedrich, Peter A1 - Berger, Jörg A1 - Rysstad, Gunnar A1 - Schöning, Michael Josef A1 - Keusgen, Michael T1 - Realisation of a calorimetric gas sensor on polyimide foil for applications in aseptic food industry JF - Sensors and Actuators B: Chemical N2 - A calorimetric gas sensor is presented for the monitoring of vapour-phase H2O2 at elevated temperature during sterilisation processes in aseptic food industry. The sensor was built up on a flexible polyimide foil (thickness: 25 μm) that has been chosen due to its thermal stability and low thermal conductivity. The sensor set-up consists of two temperature-sensitive platinum thin-film resistances passivated by a layer of SU-8 photo resist and catalytically activated by manganese(IV) oxide. Instead of an active heating structure, the calorimetric sensor utilises the elevated temperature of the evaporated H2O2 aerosol. In an experimental test rig, the sensor has shown a sensitivity of 4.78 °C/(%, v/v) in a H2O2 concentration range of 0%, v/v to 8%, v/v. Furthermore, the sensor possesses the same, unchanged sensor signal even at varied medium temperatures between 210 °C and 270 °C of the gas stream. At flow rates of the gas stream from 8 m3/h to 12 m3/h, the sensor has shown only a slightly reduced sensitivity at a low flow rate of 8 m3/h. The sensor characterisation demonstrates the suitability of the calorimetric gas sensor for monitoring the efficiency of industrial sterilisation processes. KW - Sterilisation process KW - Hydrogen peroxide KW - Polyimide KW - Calorimetric gas sensor Y1 - 2012 U6 - http://dx.doi.org/10.1016/j.snb.2011.01.032 SN - 0925-4005 N1 - Part of special issue "Eurosensors XXIV, 2010" VL - 170 SP - 60 EP - 66 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Kirchner, Patrick A1 - Reisert, Steffen A1 - Pütz, Patrick A1 - Keusgen, Michael A1 - Schöning, Michael Josef T1 - Characterisation of polymeric materials as passivation layer for calorimetric H2O2 gas sensors JF - Physica Status Solidi (a) N2 - Calorimetric gas sensors for monitoring the H₂O₂ concentration at elevated temperatures in industrial sterilisation processes have been presented in previous works. These sensors are built up in form of a differential set-up of a catalytically active and passive temperature-sensitive structure. Although, various types of catalytically active dispersions have been studied, the passivation layer has to be established and therefore, chemically as well as physically characterised. In the present work, fluorinated ethylene propylene (FEP), perfluoralkoxy (PFA) and epoxy-based SU-8 photoresist as temperature-stable polymeric materials have been investigated for sensor passivation in terms of their chemical inertness against H₂O₂, their hygroscopic properties as well as their morphology. The polymeric materials were deposited via spin-coating on the temperature-sensitive structure, wherein spin-coated FEP and PFA show slight agglomerates. However, they possess a low absorption of humidity due to their hydrophobic surface, whereas the SU-8 layer has a closed surface but shows a slightly higher absorption of water. All of them were inert against gaseous H₂O₂ during the characterisation in H₂O₂ atmosphere that demonstrates their suitability as passivation layer for calorimetric H₂O₂ gas sensors. Y1 - 2012 U6 - http://dx.doi.org/10.1002/pssa.201100773 SN - 1862-6319 VL - 209 IS - 5 SP - 859 EP - 863 PB - Wiley-VCH CY - Weinheim ER -