@article{Grotendorst2012, author = {Grotendorst, Johannes}, title = {IAS Winter School: Hierarchical Methods for Dynamics in Complex Molecular Systems}, series = {Innovatives Supercomputing in Deutschland : inSiDE. 10 (2012), H. 1}, journal = {Innovatives Supercomputing in Deutschland : inSiDE. 10 (2012), H. 1}, publisher = {-}, pages = {104}, year = {2012}, language = {en} } @book{Grotendorst2012, author = {Grotendorst, Johannes}, title = {Hierarchical methods for dynamics in complex molecular systems : IAS Winter School, 5 - 9 March 2012, Forschungszentrum J{\"u}lich GmbH ; lecture notes / ed. by Johannes Grotendorst, Godehard Sutmann, Gerhard Gompper, Dominik Marx}, publisher = {Forschungszentrum J{\"u}lich}, address = {J{\"u}lich}, isbn = {978-3-89336-768-9}, pages = {VI, 540 S. zahlr. Ill. u. graph. Darst.}, year = {2012}, language = {en} } @article{GutheilBergGrotendorst2012, author = {Gutheil, Inge and Berg, Tommy and Grotendorst, Johannes}, title = {Performance Analysis of Parallel Eigensolvers of two Libraries on BlueGene/P}, series = {Journal of Mathematics and Systems Science}, volume = {2}, journal = {Journal of Mathematics and Systems Science}, number = {4}, publisher = {David Publishing}, address = {Libertyville}, issn = {2159-5291}, doi = {10.17265/2159-5291/2012.04.003}, pages = {231 -- 236}, year = {2012}, abstract = {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.}, language = {en} } @article{HasanKeilStaatetal.2012, author = {Hasan, Istabrak and Keil, Ludger and Staat, Manfred and Wahl, Gerhard and Bourauel, Christoph}, title = {Determination of the frictional coefficient of the implant-antler interface : experimental approach}, series = {Biomedical Engineering / Biomedizinische Technik}, volume = {57}, journal = {Biomedical Engineering / Biomedizinische Technik}, number = {5}, publisher = {De Gruyter}, address = {Berlin}, issn = {1862-278X}, pages = {359 -- 363}, year = {2012}, abstract = {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.}, language = {en} } @article{HuckPoghossianWagneretal.2012, author = {Huck, Christina and Poghossian, Arshak and Wagner, Patrick and Sch{\"o}ning, Michael Josef}, title = {Combined amperometric/field-effect sensor for the detection of dissolved hydrogen}, series = {Sensors and actuators B: Chemical}, volume = {187}, journal = {Sensors and actuators B: Chemical}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0925-4005}, doi = {10.1016/j.snb.2012.10.050}, pages = {168 -- 173}, year = {2012}, abstract = {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.}, language = {en} } @article{IkenKirsanovLeginetal.2012, author = {Iken, Heiko and Kirsanov, D. and Legin, A. and Sch{\"o}ning, Michael Josef}, title = {Novel Thin-Film Polymeric Materials for the Detection of Heavy Metals}, series = {Procedia Engineering}, journal = {Procedia Engineering}, number = {47}, publisher = {Elsevier}, address = {Amsterdam}, issn = {1877-7058}, doi = {10.1016/j.proeng.2012.09.148}, pages = {322 -- 325}, year = {2012}, abstract = {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.}, language = {en} } @article{KernSchelthoffMathieu2012, author = {Kern, Alexander and Schelthoff, Christof and Mathieu, Moritz}, title = {Detaillierte Berechnung der Einfangwirksamkeiten von Fangeinrichtungen}, series = {Elektro-Praktiker}, volume = {66}, journal = {Elektro-Praktiker}, number = {4}, publisher = {Huss Medien}, address = {Berlin}, issn = {0013-5569}, pages = {6 Seiten}, year = {2012}, abstract = {Im Beitrag wird zun{\"a}chst 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 gem{\"a}ß dem klassischen Blitzkugel-Verfahren nach DIN EN 62305-3 f{\"u}r die Schutzklassen I - II - III - IV geplant sind, untersucht. Es wird gezeigt, dass die Einfangwirksamkeiten wesentlich h{\"o}her sind als in der Normenreihe DIN EN 62305 selbst angegeben. Grund daf{\"u}r ist die Tatsache, dass das Blitzkugel-Verfahren sehr konservativ aufgebaut ist und dem Planer von Blitzschutzsystemen nur die m{\"o}glichen Stellen f{\"u}r einen Einschlag aufzeigt, ohne eine Bewertung der Einschlagsh{\"a}ufigkeit zu liefern. Andererseits bedeutet dies jedoch, dass man mit dem klassischen Blitzkugel-Verfahren stets auf der „sicheren Seite" liegt.}, language = {de} } @article{KirchhofKraft2012, author = {Kirchhof, Michael and Kraft, Bodo}, title = {Hybrides Vorgehensmodell : Agile und klassische Methoden im Projekt passend kombinieren}, series = {ProjektMagazin}, journal = {ProjektMagazin}, number = {11}, publisher = {Berleb Media}, address = {Taufkirchen}, pages = {11 S.}, year = {2012}, abstract = {Agil ist im Trend und immer mehr Unternehmen, die ihre Projekte bisher nach klassischen Prinzipien durchf{\"u}hrten, denken {\"u}ber den Einsatz agiler Methoden nach. Doch selbst wenn die Organisation bereits beide Philosophien unterst{\"u}tzt, gilt f{\"u}r 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.}, language = {de} } @article{KirchnerOberlaenderFriedrichetal.2012, author = {Kirchner, Patrick and Oberl{\"a}nder, Jan and Friedrich, Peter and Berger, J{\"o}rg and Rysstad, Gunnar and Sch{\"o}ning, Michael Josef and Keusgen, Michael}, title = {Realisation of a calorimetric gas sensor on polyimide foil for applications in aseptic food industry}, series = {Sensors and Actuators B: Chemical}, volume = {170}, journal = {Sensors and Actuators B: Chemical}, publisher = {Elsevier}, address = {Amsterdam}, issn = {0925-4005}, doi = {10.1016/j.snb.2011.01.032}, pages = {60 -- 66}, year = {2012}, abstract = {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.}, language = {en} } @article{KirchnerReisertPuetzetal.2012, author = {Kirchner, Patrick and Reisert, Steffen and P{\"u}tz, Patrick and Keusgen, Michael and Sch{\"o}ning, Michael Josef}, title = {Characterisation of polymeric materials as passivation layer for calorimetric H2O2 gas sensors}, series = {Physica Status Solidi (a)}, volume = {209}, journal = {Physica Status Solidi (a)}, number = {5}, publisher = {Wiley-VCH}, address = {Weinheim}, issn = {1862-6319}, doi = {10.1002/pssa.201100773}, pages = {859 -- 863}, year = {2012}, abstract = {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.}, language = {en} }