@inproceedings{13218, author = {{Moritzer, Elmar and Hüttner, Matthias and Henning, Bernd and Webersen, Manuel}}, isbn = {{978-0-692-71961-9}}, location = {{Indianapolis}}, title = {{{Non-destructive characterization of hygrothermally aged polymers}}}, year = {{2016}}, } @inbook{13219, author = {{Moritzer, Elmar and Hüttner, Matthias and Henning, Bernd and Webersen, Manuel}}, booktitle = {{Jahresmagazin Kunststofftechnik 2016}}, pages = {{2--7}}, title = {{{Ultraschallbasierte Charakterisierung von gealterten Polymeren}}}, year = {{2016}}, } @inproceedings{13223, abstract = {{In der zerstörungsfreien Werkstoffprüfung sind bereits zahlreiche Verfahren etabliert, deren Ziel die Detektion makroskopischer Defekt- und Fehlstellen (z.B. Risse, Poren, Fremdeinschlüsse) ist. Insbesondere bei Polymerwerkstoffen muss jedoch auch die Materialalterung auf molekularer Ebene berücksichtigt werden, die sich (zumeist negativ) auf die Materialkenngrößen auswirkt. Gängige Verfahren zur Bestimmung dieser Kenngrößen arbeiten jedoch üblicherweise zerstörend und sind somit beispielsweise für die vorbeugende Instandhaltung oder die Online-Komponentenüberwachung nur eingeschränkt geeignet. In diesem Beitrag wird ein Verfahren zur zerstörungsfreien Charakterisierung des Alterungszustandes von Polymeren vorgestellt. Dazu wird der Zusammenhang zwischen akustisch (zerstörungsfrei, mittels Ultraschall-Transmissionsmessung) bestimmten Kenngrößen und klassisch (zerstörend, z.B. mittels Zugprüfung) bestimmten hydrothermischer Alterung auf das Material Polyamid 6 (PA6) untersucht. Die Ergebnisse Kenngrößen betrachtet. Exemplarisch werden die Auswirkungen zeigen einen engen Zusammenhang zwischen der zerstörend bestimmten Viskositätszahl, die ein Maß für die mittlere Molekülkettenlänge darstellt, und der akustischen Longitudinalwellengeschwindigkeit. Das Molekülkettenabbau (Depolymerisation) bestimmt ist, kann somit auch akustisch und zerstörungsfrei charakterisiert werden. Auf dieser Basis können neuartige, zerstörungsfrei arbeitende Messsysteme entwickelt werden.}}, author = {{Webersen, Manuel and Hüttner, Matthias and Bause, Fabian and Moritzer, Elmar and Henning, Bernd}}, isbn = {{978-3-9816876-0-6}}, location = {{Nürnberg}}, pages = {{683--688}}, title = {{{Zerstörungsfreie Charakterisierung des hydrothermischen Alterungsverhaltens von Polymeren}}}, doi = {{10.5162/sensoren2016/P6.4}}, year = {{2016}}, } @article{13240, abstract = {{Recently, the quantum harmonic oscillator model has been combined with maximally localized Wannier functions to account for long-range dispersion interactions in density functional theory calculations (Silvestrelli, J. Chem. Phys. 2013, 139, 054106). Here, we present a new, improved set of values for the three parameters involved in this scheme. To test the new parameter set we have computed the potential energy curves for various systems, including an isolated Ar2 dimer, two N2 dimers interacting within different configurations, and a water molecule physisorbed on pristine graphene. While the original set of parameters generally overestimates the interaction energies and underestimates the equilibrium distances, the new parameterization substantially improves the agreement with experimental and theoretical reference values. © 2016 Wiley Periodicals, Inc.}}, author = {{Partovi-Azar, Pouya and Berg, Matthias and Sanna, Simone and Kühne, Thomas D.}}, journal = {{International Journal of Quantum Chemistry}}, keywords = {{Wannier orbitals, Van der Waals interactions, density functional theory, quantum harmonic oscillator}}, number = {{15}}, pages = {{1160--1165}}, title = {{{Improved parameterization of the quantum harmonic oscillator model based on localized wannier functions to describe Van der Waals interactions in density functional theory}}}, doi = {{10.1002/qua.25150}}, volume = {{116}}, year = {{2016}}, } @article{13241, abstract = {{The accuracy of water models derived from ab initio molecular dynamics simulations by means on an improved force-matching scheme is assessed for various thermodynamic, transport, and structural properties. It is found that although the resulting force-matched water models are typically less accurate than fully empirical force fields in predicting thermodynamic properties, they are nevertheless much more accurate than generally appreciated in reproducing the structure of liquid water and in fact superseding most of the commonly used empirical water models. This development demonstrates the feasibility to routinely parametrize computationally efficient yet predictive potential energy functions based on accurate ab initio molecular dynamics simulations for a large variety of different systems. © 2016 Wiley Periodicals, Inc.}}, author = {{Köster, Andreas and Spura, Thomas and Rutkai, Gábor and Kessler, Jan and Wiebeler, Hendrik and Vrabec, Jadran and Kühne, Thomas D.}}, journal = {{Journal of Computational Chemistry}}, keywords = {{liquid water, force matching, ab initio, molecular dynamics, Monte Carlo}}, number = {{19}}, pages = {{1828--1838}}, title = {{{Assessing the accuracy of improved force-matched water models derived from Ab initio molecular dynamics simulations}}}, doi = {{10.1002/jcc.24398}}, volume = {{37}}, year = {{2016}}, } @article{13252, author = {{Tierney, Kevin and Pacino, Dario and Voß, Stefan}}, issn = {{1936-6582}}, journal = {{Flexible Services and Manufacturing Journal}}, pages = {{223--259}}, title = {{{Solving the Pre-Marshalling Problem to Optimality with A* and IDA*}}}, doi = {{10.1007/s10696-016-9246-6}}, year = {{2016}}, } @inbook{13268, author = {{Trier, Matthias and Hillmann, Robert}}, booktitle = {{Understanding Complex Systems}}, isbn = {{9783319436371}}, issn = {{1860-0832}}, title = {{{Does Sentiment Among Users in Online Social Networks Polarize or Balance Out? A Sociological Perspective Using Social Network Analysis}}}, doi = {{10.1007/978-3-319-43639-5_12}}, year = {{2016}}, } @misc{133, abstract = {{.}}, author = {{Dewender, Markus}}, publisher = {{Universität Paderborn}}, title = {{{Verifikation von Service Kompositionen mit Spin}}}, year = {{2016}}, } @misc{134, abstract = {{.}}, author = {{Heinisch, Philipp}}, publisher = {{Universität Paderborn}}, title = {{{Verifikation von Service Kompositionen mit Prolog}}}, year = {{2016}}, } @phdthesis{10136, author = {{Eikel, Martina}}, publisher = {{Universität Paderborn}}, title = {{{Insider-resistent Distributed Storage Systems}}}, year = {{2016}}, } @article{10158, author = {{Jin, Ligang and Kang, Yingli and Steffen, Eckhard}}, journal = {{Electronic Journal of Combinatorics}}, number = {{3}}, title = {{{Face-degree bounds for planar critical graphs}}}, volume = {{23}}, year = {{2016}}, } @article{10159, author = {{Kang, Yingli and Steffen, Eckhard}}, journal = {{Discrete Mathematics }}, pages = {{234--243}}, title = {{{The chromatic spectrum of signed graphs}}}, volume = {{339}}, year = {{2016}}, } @article{10160, author = {{Jin, Ligang and Kang, Yingli and Steffen, Eckhard}}, journal = {{Discrete Applied Mathematics}}, pages = {{200–202}}, title = {{{Remarks on planar critical graphs}}}, volume = {{200}}, year = {{2016}}, } @article{10161, author = {{Jin, Ligang and Kang, Yingli and Steffen, Eckhard}}, journal = {{European J. Combinatorics}}, pages = {{234--243}}, title = {{{Choosability in signed planar graphs}}}, volume = {{52}}, year = {{2016}}, } @inbook{10214, author = {{Fürnkranz, J. and Hüllermeier, Eyke}}, booktitle = {{Encyclopedia of Machine Learning and Data Mining}}, editor = {{Sammut, C. and Webb, G.I.}}, publisher = {{Springer}}, title = {{{Preference Learning}}}, year = {{2016}}, } @proceedings{10221, editor = {{Hoffmann, F. and Hüllermeier, Eyke and Mikut, R.}}, title = {{{ Proceedings 26. Workshop Computational Intelligence KIT Scientific Publishing, Karlsruhe, Germany}}}, year = {{2016}}, } @inproceedings{10222, author = {{Jasinska, K. and Dembczynski, K. and Busa-Fekete, Robert and Klerx, Timo and Hüllermeier, Eyke}}, booktitle = {{Proceedings ICML-2016, 33th International Conference on Machine Learning, New York, USA}}, editor = {{Balcan, M.F. and Weinberger, K.Q.}}, title = {{{Extreme F-measure maximization using sparse probability estimates }}}, year = {{2016}}, } @inproceedings{10223, author = {{Melnikov, Vitaly and Hüllermeier, Eyke}}, booktitle = {{European Conference on Machine Learning and Knowledge Discovery in Databases, Part II, Riva del Garda, Italy}}, pages = {{756--771}}, title = {{{Learning to aggregate using uninorms, in Proceedings ECML/PKDD-2016}}}, year = {{2016}}, } @inproceedings{10224, author = {{Dembczynski, K. and Kotlowski, W. and Waegeman, W. and Busa-Fekete, Robert and Hüllermeier, Eyke}}, booktitle = {{In Proceedings ECML/PKDD European Conference on Maschine Learning and Knowledge Discovery in Databases, Part II, Riva del Garda, Italy}}, pages = {{511--526}}, title = {{{Consistency of probalistic classifier trees}}}, year = {{2016}}, } @inproceedings{10225, author = {{Shabani, Aulon and Paul, Adil and Platon, R. and Hüllermeier, Eyke}}, booktitle = {{In Proceedings ICCBR, 24th International Conference on Case-Based Reasoning, Atlanta, GA, USA}}, pages = {{356--369}}, title = {{{Predicting the electricity consumption of buildings: An improved CBR approach}}}, year = {{2016}}, }