TY - JOUR A1 - Everaers, Ralf A1 - Karimi-Varzaneh, Hossein Ali A1 - Fleck, Franz A1 - Hojdis, Nils A1 - Svaneborg, Carsten T1 - Kremer–Grest Models for Commodity Polymer Melts: Linking Theory, Experiment, and Simulation at the Kuhn Scale JF - Macromolecules N2 - The Kremer–Grest (KG) polymer model is a standard model for studying generic polymer properties in molecular dynamics simulations. It owes its popularity to its simplicity and computational efficiency, rather than its ability to represent specific polymers species and conditions. Here we show that by tuning the chain stiffness it is possible to adapt the KG model to model melts of real polymers. In particular, we provide mapping relations from KG to SI units for a wide range of commodity polymers. The connection between the experimental and the KG melts is made at the Kuhn scale, i.e., at the crossover from the chemistry-specific small scale to the universal large scale behavior. We expect Kuhn scale-mapped KG models to faithfully represent universal properties dominated by the large scale conformational statistics and dynamics of flexible polymers. In particular, we observe very good agreement between entanglement moduli of our KG models and the experimental moduli of the target polymers. Y1 - 2020 U6 - https://doi.org/10.1021/acs.macromol.9b02428 SN - 1520-5835 VL - 53 IS - 6 SP - 1901 EP - 1916 PB - ACS Publications CY - Washington, DC ER - TY - CHAP A1 - Lorenz, Imke-Sophie A1 - Altherr, Lena A1 - Pelz, Peter F. ED - Neufeld, Janis S. ED - Buscher, Udo ED - Lasch, Rainer ED - Möst, Dominik ED - Schönberger, Jörn T1 - Assessing and Optimizing the Resilience of Water Distribution Systems Using Graph-Theoretical Metrics T2 - Operations Research Proceedings 2019 N2 - Water distribution systems are an essential supply infrastructure for cities. Given that climatic and demographic influences will pose further challenges for these infrastructures in the future, the resilience of water supply systems, i.e. their ability to withstand and recover from disruptions, has recently become a subject of research. To assess the resilience of a WDS, different graph-theoretical approaches exist. Next to general metrics characterizing the network topology, also hydraulic and technical restrictions have to be taken into account. In this work, the resilience of an exemplary water distribution network of a major German city is assessed, and a Mixed-Integer Program is presented which allows to assess the impact of capacity adaptations on its resilience. KW - OR 2019 KW - business analytics KW - decision analytics KW - digital economy KW - mathematical optimization Y1 - 2020 SN - 978-3-030-48439-2 SN - 978-3-030-48438-5 U6 - https://doi.org/10.1007/978-3-030-48439-2_63 N1 - Annual International Conference of the German Operations Research Society (GOR), Dresden, Germany, September 4-6, 2019 SP - 521 EP - 527 PB - Springer CY - Cham ER - TY - CHAP A1 - Leise, Philipp A1 - Simon, Nicolai A1 - Altherr, Lena T1 - Comparison of Piecewise Linearization Techniques to Model Electric Motor Efficiency Maps: A Computational Study T2 - Operations Research Proceedings 2019 N2 - To maximize the travel distances of battery electric vehicles such as cars or buses for a given amount of stored energy, their powertrains are optimized energetically. One key part within optimization models for electric powertrains is the efficiency map of the electric motor. The underlying function is usually highly nonlinear and nonconvex and leads to major challenges within a global optimization process. To enable faster solution times, one possibility is the usage of piecewise linearization techniques to approximate the nonlinear efficiency map with linear constraints. Therefore, we evaluate the influence of different piecewise linearization modeling techniques on the overall solution process and compare the solution time and accuracy for methods with and without explicitly used binary variables. KW - MINLP KW - Powertrain KW - Piecewise linearization KW - Efficiency optimization Y1 - 2020 SN - 978-3-030-48439-2 SN - 978-3-030-48438-5 U6 - https://doi.org/10.1007/978-3-030-48439-2_55 N1 - Annual International Conference of the German Operations Research Society (GOR), Dresden, Germany, September 4-6, 2019 SP - 457 EP - 463 PB - Springer CY - Cham ER - TY - JOUR A1 - Jung, Alexander A1 - Staat, Manfred T1 - Erratum to "Modeling and simulation of human induced pluripotent stem cell-derived cardiac tissue" [GAMM-Mitteilungen, (2019), 42, 4, 10.1002/gamm.201900002] JF - GAMM-Mitteilungen Y1 - 2020 U6 - https://doi.org/10.1002/gamm.202000011 SN - 1522-2608 N1 - Refers to: Modeling and simulation of human induced pluripotent stem cell-derived cardiac tissue. Alexander Jung, Manfred Staat. Volume 42, Issue 4. GAMM-Mitteilungen, 2019. https://doi.org/10.1002/gamm.201900002 VL - 43 IS - 4 PB - Wiley-VCH GmbH CY - Weinheim ER - TY - CHAP A1 - Meck, Marvin M. A1 - Müller, Tim M. A1 - Altherr, Lena A1 - Pelz, Peter F. T1 - Improving an industrial cooling system using MINLP, considering capital and operating costs T2 - Operations Research Proceedings 2019 N2 - The chemical industry is one of the most important industrial sectors in Germany in terms of manufacturing revenue. While thermodynamic boundary conditions often restrict the scope for reducing the energy consumption of core processes, secondary processes such as cooling offer scope for energy optimisation. In this contribution, we therefore model and optimise an existing cooling system. The technical boundary conditions of the model are provided by the operators, the German chemical company BASF SE. In order to systematically evaluate different degrees of freedom in topology and operation, we formulate and solve a Mixed-Integer Nonlinear Program (MINLP), and compare our optimisation results with the existing system. KW - Engineering optimisation KW - Mixed-integer programming KW - Industrial optimisation KW - Cooling system KW - Process engineering Y1 - 2020 SN - 978-3-030-48438-5 (Print) SN - 978-3-030-48439-2 (Online) U6 - https://doi.org/10.1007/978-3-030-48439-2_61 N1 - Annual International Conference of the German Operations Research Society (GOR), Dresden, Germany, September 4-6, 2019. SP - 505 EP - 512 PB - Springer CY - Cham ER - TY - JOUR A1 - Müller, Tim M. A1 - Leise, Philipp A1 - Lorenz, Imke-Sophie A1 - Altherr, Lena A1 - Pelz, Peter F. T1 - Optimization and validation of pumping system design and operation for water supply in high-rise buildings JF - Optimization and Engineering N2 - The application of mathematical optimization methods for water supply system design and operation provides the capacity to increase the energy efficiency and to lower the investment costs considerably. We present a system approach for the optimal design and operation of pumping systems in real-world high-rise buildings that is based on the usage of mixed-integer nonlinear and mixed-integer linear modeling approaches. In addition, we consider different booster station topologies, i.e. parallel and series-parallel central booster stations as well as decentral booster stations. To confirm the validity of the underlying optimization models with real-world system behavior, we additionally present validation results based on experiments conducted on a modularly constructed pumping test rig. Within the models we consider layout and control decisions for different load scenarios, leading to a Deterministic Equivalent of a two-stage stochastic optimization program. We use a piecewise linearization as well as a piecewise relaxation of the pumps’ characteristics to derive mixed-integer linear models. Besides the solution with off-the-shelf solvers, we present a problem specific exact solving algorithm to improve the computation time. Focusing on the efficient exploration of the solution space, we divide the problem into smaller subproblems, which partly can be cut off in the solution process. Furthermore, we discuss the performance and applicability of the solution approaches for real buildings and analyze the technical aspects of the solutions from an engineer’s point of view, keeping in mind the economically important trade-off between investment and operation costs. KW - Technical Operations Research KW - MINLP KW - MILP KW - Experimental validation KW - Pumping systems Y1 - 2020 U6 - https://doi.org/10.1007/s11081-020-09553-4 SN - 1573-2924 VL - 2021 IS - 22 SP - 643 EP - 686 PB - Springer ER - TY - CHAP A1 - Müller, Tim M. A1 - Altherr, Lena A1 - Leise, Philipp A1 - Pelz, Peter F. T1 - Optimization of pumping systems for buildings: Experimental validation of different degrees of model detail on a modular test rig T2 - Operations Research Proceedings 2019 N2 - Successful optimization requires an appropriate model of the system under consideration. When selecting a suitable level of detail, one has to consider solution quality as well as the computational and implementation effort. In this paper, we present a MINLP for a pumping system for the drinking water supply of high-rise buildings. We investigate the influence of the granularity of the underlying physical models on the solution quality. Therefore, we model the system with a varying level of detail regarding the friction losses, and conduct an experimental validation of our model on a modular test rig. Furthermore, we investigate the computational effort and show that it can be reduced by the integration of domain-specific knowledge. KW - Experimental validation KW - MINLP KW - Engineering optimization KW - Water supply system KW - Network design Y1 - 2020 SN - 978-3-030-48438-5 U6 - https://doi.org/10.1007/978-3-030-48439-2_58 N1 - Annual International Conference of the German Operations Research Society (GOR), Dresden, Germany, September 4-6, 2019 SP - 481 EP - 488 PB - Springer CY - Cham ER - TY - JOUR A1 - Eckert, Alexander A1 - Abbasi, Mozhdeh A1 - Mang, Thomas A1 - Saalwächter, Kay A1 - Walther, Andreas T1 - Structure, Mechanical Properties, and Dynamics of Polyethylenoxide/Nanoclay Nacre-Mimetic Nanocomposites JF - Macromolecules N2 - Nacre-mimetic nanocomposites based on high fractions of synthetic high-aspect-ratio nanoclays in combination with polymers are continuously pushing boundaries for advanced material properties, such as high barrier against oxygen, extraordinary mechanical behavior, fire shielding, and glass-like transparency. Additionally, they provide interesting model systems to study polymers under nanoconfinement due to the well-defined layered nanocomposite arrangement. Although the general behavior in terms of forming such layered nanocomposite materials using evaporative self-assembly and controlling the nanoclay gallery spacing by the nanoclay/polymer ratio is understood, some combinations of polymer matrices and nanoclay reinforcement do not comply with the established models. Here, we demonstrate a thorough characterization and analysis of such an unusual polymer/nanoclay pair that falls outside of the general behavior. Poly(ethylene oxide) (PEO) and sodium fluorohectorite form nacre-mimetic, lamellar nanocomposites that are completely transparent and show high mechanical stiffness and high gas barrier, but there is only limited expansion of the nanoclay gallery spacing when adding increasing amounts of polymer. This behavior is maintained for molecular weights of PEO varied over four orders of magnitude and can be traced back to depletion forces. By careful investigation via X-ray diffraction and proton low-resolution solid-state NMR, we are able to quantify the amount of mobile and immobilized polymer species in between the nanoclay galleries and around proposed tactoid stacks embedded in a PEO matrix. We further elucidate the unusual confined polymer dynamics, indicating a relevant role of specific surface interactions. Y1 - 2020 U6 - https://doi.org/10.1021/acs.macromol.9b01931 SN - 1520-5835 VL - 53 IS - 5 SP - 1716 EP - 1725 PB - ACS Publications CY - Washington, DC ER - TY - THES A1 - Bronder, Thomas T1 - Label-free detection of tuberculosis DNA with capacitive field-effect biosensors Y1 - 2020 U6 - https://doi.org/10.17192/z2021.0056 N1 - Dissertation, Universität, Marburg 2020 PB - Philipps-Universität Marburg CY - Marburg ER - TY - CHAP A1 - Engemann, Heiko A1 - Du, Shengzhi A1 - Kallweit, Stephan A1 - Ning, Chuanfang A1 - Anwar, Saqib T1 - AutoSynPose: Automatic Generation of Synthetic Datasets for 6D Object Pose Estimation T2 - Machine Learning and Artificial Intelligence. Proceedings of MLIS 2020 N2 - We present an automated pipeline for the generation of synthetic datasets for six-dimension (6D) object pose estimation. Therefore, a completely automated generation process based on predefined settings is developed, which enables the user to create large datasets with a minimum of interaction and which is feasible for applications with a high object variance. The pipeline is based on the Unreal 4 (UE4) game engine and provides a high variation for domain randomization, such as object appearance, ambient lighting, camera-object transformation and distractor density. In addition to the object pose and bounding box, the metadata includes all randomization parameters, which enables further studies on randomization parameter tuning. The developed workflow is adaptable to other 3D objects and UE4 environments. An exemplary dataset is provided including five objects of the Yale-CMU-Berkeley (YCB) object set. The datasets consist of 6 million subsegments using 97 rendering locations in 12 different UE4 environments. Each dataset subsegment includes one RGB image, one depth image and one class segmentation image at pixel-level. Y1 - 2020 SN - 978-1-64368-137-5 U6 - https://doi.org/10.3233/FAIA200770 N1 - Frontiers in Artificial Intelligence and Applications. Vol 332 SP - 89 EP - 97 PB - IOS Press CY - Amsterdam ER -