TY - JOUR A1 - Svaneborg, Carsten A1 - Karimi-Varzaneh, Hossein Ali A1 - Hojdis, Nils A1 - Fleck, Franz A1 - Everaers, Ralf T1 - Kremer-Grest Models for Universal Properties of Specific Common Polymer Species JF - Soft Condensed Matter N2 - The Kremer-Grest (KG) bead-spring model is a near standard in Molecular Dynamic simulations of generic polymer properties. It owes its popularity to its computational efficiency, rather than its ability to represent specific polymer species and conditions. Here we investigate how to adapt the model to match the universal properties of a wide range of chemical polymers species. For this purpose we vary a single parameter originally introduced by Faller and Müller-Plathe, the chain stiffness. Examples include polystyrene, polyethylene, polypropylene, cis-polyisoprene, polydimethylsiloxane, polyethyleneoxide and styrene-butadiene rubber. We do this by matching the number of Kuhn segments per chain and the number of Kuhn segments per cubic Kuhn volume for the polymer species and for the Kremer-Grest model. We also derive mapping relations for converting KG model units back to physical units, in particular we obtain the entanglement time for the KG model as function of stiffness allowing for a time mapping. To test these relations, we generate large equilibrated well entangled polymer melts, and measure the entanglement moduli using a static primitive-path analysis of the entangled melt structure as well as by simulations of step-strain deformation of the model melts. The obtained moduli for our model polymer melts are in good agreement with the experimentally expected moduli. Y1 - 2018 IS - 1606.05008 ER - TY - JOUR A1 - Waller, Mark P. A1 - Braun, Heiko A1 - Hojdis, Nils A1 - Bühl, Michael T1 - Geometries of Second-Row Transition-Metal Complexes from Density-Functional Theory JF - Journal of Chemical Theory and Computation Y1 - 2007 U6 - http://dx.doi.org/10.1021/ct700178y SN - 1549-9626 VL - 3 IS - 6 SP - 2234 EP - 2242 ER - TY - JOUR A1 - Hager, Jonathan A1 - Hentschke, Reinhard A1 - Hojdis, Nils A1 - Karimi-Varzaneh, Hossein Ali T1 - Computer Simulation of Particle–Particle Interaction in a Model Polymer Nanocomposite JF - Macromolecules Y1 - 2015 U6 - http://dx.doi.org/10.1021/acs.macromol.5b01864 SN - 1520-5835 VL - 48 IS - 24 SP - 9039 EP - 9049 ER - TY - JOUR A1 - Meyer, Jan A1 - Hentschke, Reinhard A1 - Hager, Jonathan A1 - Hojdis, Nils A1 - Karimi-Varzaneh, Hossein Ali T1 - Molecular Simulation of Viscous Dissipation due to Cyclic Deformation of a Silica–Silica Contact in Filled Rubber JF - Macromolecules Y1 - 2017 U6 - http://dx.doi.org/10.1021/acs.macromol.7b00947 SN - 1520-5835 VL - 50 IS - 17 SP - 6679 EP - 6689 ER - 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 - http://dx.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 - JOUR A1 - Horbach, Andreas A1 - Staat, Manfred A1 - Perez-Viana, Daniel A1 - Simmen, Hans-Peter A1 - Neuhaus, Valentin A1 - Pape, Hans-Christoph A1 - Prescher, Andreas A1 - Ciritsis, Bernhard T1 - Biomechanical in vitro examination of a standardized low-volume tubular femoroplasty JF - Clinical Biomechanics N2 - Background Osteoporosis is associated with the risk of fractures near the hip. Age and comorbidities increase the perioperative risk. Due to the ageing population, fracture of the proximal femur also proves to be a socio-economic problem. Preventive surgical measures have hardly been used so far. Methods 10 pairs of human femora from fresh cadavers were divided into control and low-volume femoroplasty groups and subjected to a Hayes fall-loading fracture test. The results of the respective localization and classification of the fracture site, the Singh index determined by computed tomography (CT) examination and the parameters in terms of fracture force, work to fracture and stiffness were evaluated statistically and with the finite element method. In addition, a finite element parametric study with different position angles and variants of the tubular geometry of the femoroplasty was performed. Findings Compared to the control group, the work to fracture could be increased by 33.2%. The fracture force increased by 19.9%. The used technique and instrumentation proved to be standardized and reproducible with an average poly(methyl methacrylate) volume of 10.5 ml. The parametric study showed the best results for the selected angle and geometry. Interpretation The cadaver studies demonstrated the biomechanical efficacy of the low-volume tubular femoroplasty. The numerical calculations confirmed the optimal choice of positioning as well as the inner and outer diameter of the tube in this setting. The standardized minimally invasive technique with the instruments developed for it could be used in further comparative studies to confirm the measured biomechanical results. Y1 - 2020 U6 - http://dx.doi.org/10.1016/j.clinbiomech.2020.105104 VL - 80 IS - Art. 105104 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Franko, Josef A1 - Du, Shengzhi A1 - Kallweit, Stephan A1 - Duelberg, Enno Sebastian A1 - Engemann, Heiko T1 - Design of a Multi-Robot System for Wind Turbine Maintenance JF - Energies N2 - The maintenance of wind turbines is of growing importance considering the transition to renewable energy. This paper presents a multi-robot-approach for automated wind turbine maintenance including a novel climbing robot. Currently, wind turbine maintenance remains a manual task, which is monotonous, dangerous, and also physically demanding due to the large scale of wind turbines. Technical climbers are required to work at significant heights, even in bad weather conditions. Furthermore, a skilled labor force with sufficient knowledge in repairing fiber composite material is rare. Autonomous mobile systems enable the digitization of the maintenance process. They can be designed for weather-independent operations. This work contributes to the development and experimental validation of a maintenance system consisting of multiple robotic platforms for a variety of tasks, such as wind turbine tower and rotor blade service. In this work, multicopters with vision and LiDAR sensors for global inspection are used to guide slower climbing robots. Light-weight magnetic climbers with surface contact were used to analyze structure parts with non-destructive inspection methods and to locally repair smaller defects. Localization was enabled by adapting odometry for conical-shaped surfaces considering additional navigation sensors. Magnets were suitable for steel towers to clamp onto the surface. A friction-based climbing ring robot (SMART— Scanning, Monitoring, Analyzing, Repair and Transportation) completed the set-up for higher payload. The maintenance period could be extended by using weather-proofed maintenance robots. The multi-robot-system was running the Robot Operating System (ROS). Additionally, first steps towards machine learning would enable maintenance staff to use pattern classification for fault diagnosis in order to operate safely from the ground in the future. Y1 - 2020 U6 - http://dx.doi.org/10.3390/en13102552 SN - 1996-1073 VL - 13 IS - 10 SP - Article 2552 PB - MDPI CY - Basel ER - TY - JOUR A1 - Weber, Tobias A1 - Arent, Jan-Christoph A1 - Münch, Lukas A1 - Duhovic, Miro A1 - Balvers, Johannes M. T1 - A fast method for the generation of boundary conditions for thermal autoclave simulation JF - Composites Part A N2 - Manufacturing process simulation enables the evaluation and improvement of autoclave mold concepts early in the design phase. To achieve a high part quality at low cycle times, the thermal behavior of the autoclave mold can be investigated by means of simulations. Most challenging for such a simulation is the generation of necessary boundary conditions. Heat-up and temperature distribution in an autoclave mold are governed by flow phenomena, tooling material and shape, position within the autoclave, and the chosen autoclave cycle. This paper identifies and summarizes the most important factors influencing mold heat-up and how they can be introduced into a thermal simulation. Thermal measurements are used to quantify the impact of the various parameters. Finally, the gained knowledge is applied to develop a semi-empirical approach for boundary condition estimation that enables a simple and fast thermal simulation of the autoclave curing process with reasonably high accuracy for tooling optimization. Y1 - 2016 U6 - http://dx.doi.org/10.1016/j.compositesa.2016.05.036 SN - 1359-835X VL - 88 SP - 216 EP - 225 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Weber, Tobias A1 - Arent, Jan-Christoph A1 - Steffen, Lucas A1 - Balvers, Johannes M. A1 - Duhovic, Miro T1 - Thermal optimization of composite autoclave molds using the shift factor approach for boundary condition estimation JF - Journal of Composite Materials Y1 - 2017 U6 - http://dx.doi.org/10.1177/0021998317699868 SN - 1530-793X VL - 51 IS - 12 SP - 1753 EP - 1767 PB - Sage CY - London ER - TY - JOUR A1 - Weber, Tobias A1 - Ruff-Stahl, Hans-Joachim K. T1 - Advances in Composite Manufacturing of Helicopter Parts JF - International Journal of Aviation, Aeronautics, and Aerospace Y1 - 2017 U6 - http://dx.doi.org/10.15394/ijaaa.2017.1153 SN - 2374-6793 VL - 4 IS - 1 ER -