TY - JOUR A1 - Balakirski, Galina A1 - Kotliar, Konstantin A1 - Pauly, Karolin J. A1 - Krings, Laura K. A1 - Rübben, Albert A1 - Baron, Jens M. A1 - Schmitt, Laurenz T1 - Surgical Site Infections After Dermatologic Surgery in Immunocompromised Patients: A Single-Center Experience JF - Dermatologic Surgery N2 - BACKGROUND Immunosuppression is often considered as an indication for antibiotic prophylaxis to prevent surgical site infections (SSI) while performing skin surgery. However, the data on the risk of developing SSI after dermatologic surgery in immunosuppressed patients are limited. PATIENTS AND METHODS All patients of the Department of Dermatology and Allergology at the University Hospital of RWTH Aachen in Aachen, Germany, who underwent hospitalization for a dermatologic surgery between June 2016 and January 2017 (6 months), were followed up after surgery until completion of the wound healing process. The follow-up addressed the occurrence of SSI and the need for systemic antibiotics after the operative procedure. Immunocompromised patients were compared with immunocompetent patients. The investigation was conducted as a retrospective analysis of patient records. RESULTS The authors performed 284 dermatologic surgeries in 177 patients. Nineteen percent (54/284) of the skin surgery was performed on immunocompromised patients. The most common indications for surgical treatment were nonmelanoma skin cancer and malignant melanomas. Surgical site infections occurred in 6.7% (19/284) of the cases. In 95% (18/19), systemic antibiotic treatment was needed. Twenty-one percent of all SSI (4/19) were seen in immunosuppressed patients. CONCLUSION According to the authors' data, immunosuppression does not represent a significant risk factor for SSI after dermatologic surgery. However, larger prospective studies are needed to make specific recommendations on the use of antibiotic prophylaxis while performing skin surgery in these patients. The available data on complications after dermatologic surgery have improved over the past years. Particularly, additional risk factors have been identified for surgical site infections (SSI). Purulent surgical sites, older age, involvement of head, neck, and acral regions, and also the involvement of less experienced surgeons have been reported to increase the risk of the SSI after dermatologic surgeries.1 In general, the incidence of SSI after skin surgery is considered to be low.1,2 However, antibiotics in dermatologic surgeries, especially in the perioperative setting, seem to be overused,3,4 particularly regarding developing antibiotic resistances and side effects. Immunosuppression has been recommended to be taken into consideration as an additional indication for antibiotic prophylaxis to prevent SSI after skin surgery in special cases.5,6 However, these recommendations do not specify the exact dermatologic surgeries, and were not specifically developed for dermatologic surgery patients and treatments, but adopted from other surgical fields.6 According to the survey conducted on American College of Mohs Surgery members in 2012, 13% to 29% of the surgeons administered antibiotic prophylaxis to immunocompromised patients to prevent SSI while performing dermatologic surgery on noninfected skin,3 although this was not recommended by Journal of the American Academy of Dermatology Advisory Statement. Indeed, the data on the risk of developing SSI after dermatologic surgery in immunosuppressed patients are limited. However, it is possible that due to the insufficient evidence on the risk of SSI occurrence in this patient group, dermatologic surgeons tend to overuse perioperative antibiotic prophylaxis. To make specific recommendations on the use of antibiotic prophylaxis in immunosuppressed patients in the field of skin surgery, more information about the incidence of SSI after dermatologic surgery in these patients is needed. The aim of this study was to fill this data gap by investigating whether there is an increased risk of SSI after skin surgery in immunocompromised patients compared with immunocompetent patients. Y1 - 2018 U6 - https://doi.org/10.1097/DSS.0000000000001615 IS - 44 (12) SP - 1525 EP - 1536 PB - Wolters Kluwer ER - TY - JOUR A1 - Rittweger, Jörn A1 - Albracht, Kirsten A1 - Flück, Martin A1 - Ruoss, Severin A1 - Brocca, Lorenza A1 - Longa, Emanuela A1 - Moriggi, Manuela A1 - Seynnes, Olivier A1 - Di Giulio, Irene A1 - Tenori, Leonardo A1 - Vignoli, Alessia A1 - Capri, Miriam A1 - Gelfi, Cecilia A1 - Luchinat, Claudio A1 - Franceschi, Claudio A1 - Bottinelli, Roberto A1 - Cerretelli, Paolo A1 - Narici, Marco T1 - Sarcolab pilot study into skeletal muscle’s adaptation to longterm spaceflight JF - npj Microgravity Y1 - 2018 U6 - https://doi.org/10.1038/s41526-018-0052-1 SN - 2373-8065 VL - 4 IS - 1 SP - 1 EP - 9 PB - Nature Portfolio ER - TY - JOUR A1 - Werkhausen, Amelie A1 - Cronin, Neil J. A1 - Albracht, Kirsten A1 - Bojsen-Møller, Jens A1 - Seynnes, Olivier R. T1 - Distinct muscle-tendon interaction during running at different speeds and in different loading conditions JF - Journal of Applied Physiology Y1 - 2019 U6 - https://doi.org/10.1152/japplphysiol.00710.2018 SN - 1522-1601 VL - 127 IS - 1 SP - 246 EP - 253 ER - TY - JOUR A1 - Jildeh, Zaid B. A1 - Kirchner, Patrick A1 - Baltes, Klaus A1 - Wagner, Patrick H. A1 - Schöning, Michael Josef T1 - Development of an in-line evaporation unit for the production of gas mixtures containing hydrogen peroxide – numerical modeling and experimental results JF - International Journal of Heat and Mass Transfer N2 - Hydrogen peroxide (H2O2) is a typical surface sterilization agent for packaging materials used in the pharmaceutical, food and beverage industries. We use the finite-elements method to analyze the conceptual design of an in-line thermal evaporation unit to produce a heated gas mixture of air and evaporated H2O2 solution. For the numerical model, the required phase-transition variables of pure H2O2 solution and of the aerosol mixture are acquired from vapor-liquid equilibrium (VLE) diagrams derived from vapor-pressure formulations. This work combines homogeneous single-phase turbulent flow with heat-transfer physics to describe the operation of the evaporation unit. We introduce the apparent heat-capacity concept to approximate the non-isothermal phase-transition process of the H2O2-containing aerosol. Empirical and analytical functions are defined to represent the temperature- and pressure-dependent material properties of the aqueous H2O2 solution, the aerosol and the gas mixture. To validate the numerical model, the simulation results are compared to experimental data on the heating power required to produce the gas mixture. This shows good agreement with the deviations below 10%. Experimental observations on the formation of deposits due to the evaporation of stabilized H2O2 solution fits the prediction made from simulation results. Y1 - 2019 U6 - https://doi.org/10.1016/j.ijheatmasstransfer.2019.118519 SN - 0017-9310 VL - 143 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Schwarz, Alexander A1 - Gebhardt, Andreas A1 - Schleser, Markus A1 - Popoola, Patricia T1 - New Welding Joint Geometries Manufactured by Powder Bed Fusion from 316L JF - Materials Performance and Characterization 8 Y1 - 2019 U6 - https://doi.org/10.1520/MPC20180096 SN - 2379-1365 IS - in press ER - TY - JOUR A1 - Bucur, Alexandru A1 - Lazarescu, Lucian A1 - Pop, Grigore Marian A1 - Achimas, Gheorghe A1 - Gebhardt, Andreas T1 - Tribological performance of biodegradable lubricants under different surface roughness of tools JF - Academic Journal of Manufacturing Engineering Y1 - 2019 SN - 1583-7904 VL - 17 IS - 1 SP - 172 EP - 178 ER - TY - JOUR A1 - Thoma, Andreas A1 - Ravi, Sridhar T1 - Significance of parallel computing on the performance of Digital Image Correlation algorithms in MATLAB N2 - Digital Image Correlation (DIC) is a powerful tool used to evaluate displacements and deformations in a non-intrusive manner. By comparing two images, one of the undeformed reference state of a specimen and another of the deformed target state, the relative displacement between those two states is determined. DIC is well known and often used for post-processing analysis of in-plane displacements and deformation of specimen. Increasing the analysis speed to enable real-time DIC analysis will be beneficial and extend the field of use of this technique. Here we tested several combinations of the most common DIC methods in combination with different parallelization approaches in MATLAB and evaluated their performance to determine whether real-time analysis is possible with these methods. To reflect improvements in computing technology different hardware settings were also analysed. We found that implementation problems can reduce the efficiency of a theoretically superior algorithm such that it becomes practically slower than a suboptimal algorithm. The Newton-Raphson algorithm in combination with a modified Particle Swarm algorithm in parallel image computation was found to be most effective. This is contrary to theory, suggesting that the inverse-compositional Gauss-Newton algorithm is superior. As expected, the Brute Force Search algorithm is the least effective method. We also found that the correct choice of parallelization tasks is crucial to achieve improvements in computing speed. A poorly chosen parallelisation approach with high parallel overhead leads to inferior performance. Finally, irrespective of the computing mode the correct choice of combinations of integerpixel and sub-pixel search algorithms is decisive for an efficient analysis. Using currently available hardware realtime analysis at high framerates remains an aspiration. Y1 - 2019 SP - 1 EP - 17 ER - TY - JOUR A1 - Bartella, Alexander K. A1 - Kamal, Mohammad A1 - Scholl, Ingrid A1 - Schiffer, Stefan A1 - Steegmann, Julius A1 - Ketelsen, Dominik A1 - Hölzle, Frank W. A1 - Lethaus, Bernd T1 - Virtual reality in preoperative imaging in maxillofacial surgery: implementation of “the next level”? JF - British Journal of Oral and Maxillofacial Surgery Y1 - 2019 U6 - https://doi.org/10.1016/j.bjoms.2019.02.014 SN - 0266-4356 VL - 57 IS - 7 SP - 644 EP - 648 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Matcha, Heike A1 - Ljubas, Ante A1 - Gueldemet, Harun ED - Kepczynska-Walczak, A. T1 - Printing a Coffee Bar: An investigation into mid-scale 3D printing JF - Computing for a better tomorrow - Proceedings of the 36th eCAADe Conference - Volume 2, Lodz University of Technology, Lodz, Poland, 19-21 September 2018 N2 - We present and discuss an exploration of the possibilities and properties of 3D printing with a printing space of 1 cubic meter, and how those can be integrated into architectural education through an experimental design and research course with students of architecture.We expand on issues presented at the eCAADe conference 2017 in Rome [Ref 6] by increasing the complexity and size of our prints, printing not a model to scale, but a full scale funtional prototype of a usable architectural object: A coffee bar. Y1 - 2018 SP - 59 EP - 68 ER - TY - JOUR A1 - Capri, Miriam A1 - Morsiani, Cristina A1 - Santoro, Aurelia A1 - Moriggi, Manuela A1 - Conte, Maria A1 - Martucci, Morena A1 - Bellavista, Elena A1 - Fabbri, Cristina A1 - Giampieri, Enrico A1 - Albracht, Kirsten A1 - Flück, Martin A1 - Ruoss, Severin A1 - Brocca, Lorenza A1 - Canepari, Monica A1 - Longa, Emanuela A1 - Giulio, Irene Di A1 - Bottinelli, Roberto A1 - Cerretelli, Paolo A1 - Salvioli, Stefano A1 - Gelfi, Cecilia A1 - Franceschi, Claudio A1 - Narici, Marco A1 - Rittweger, Jörn T1 - Recovery from 6-month spaceflight at the International Space Station: muscle-related stress into a proinflammatory setting JF - The FASEB journal : official publication of the Federation of American Societies for Experimental Biology Y1 - 2019 U6 - https://doi.org/10.1096/fj.201801625R VL - 33 IS - 4 SP - 5168 EP - 5180 ER - TY - JOUR A1 - Quittmann, Oliver J. A1 - Abel, Thomas A1 - Albracht, Kirsten A1 - Strüder, Heiko K. T1 - Reliability of muscular activation patterns and their alterations during incremental handcycling in able-bodied participants JF - Sports Biomechanics Y1 - 2019 U6 - https://doi.org/10.1080/14763141.2019.1593496 SN - 1752-6116 IS - Article in press PB - Taylor & Francis CY - London ER - TY - JOUR A1 - Schmidt, Katharina A1 - Forkmann, Katarina A1 - Schultz, Heidrun A1 - Gratz, Marcel A1 - Bitz, Andreas A1 - Wiech, Katja A1 - Bingel, Ulrike T1 - Enhanced Neural Reinstatement for Evoked Facial Pain Compared With Evoked Hand Pain JF - The Journal of Pain Y1 - 2019 U6 - https://doi.org/10.1016/j.jpain.2019.03.003 SN - 1526-5900 IS - In Press, Corrected Proof PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Schiffels, Johannes A1 - Selmer, Thorsten T1 - Combinatorial assembly of ferredoxin‐linked modules in Escherichia coli yields a testing platform for Rnf‐complexes JF - Biotechnology and Bioengineering Y1 - 2019 U6 - https://doi.org/10.1002/bit.27079 IS - accepted article SP - 1 EP - 36 PB - Wiley CY - Weinheim ER - TY - JOUR A1 - Kopp, Alexander A1 - Schmeets, Ralf A1 - Gosau, Martin A1 - Friedrich, Reinhard E. A1 - Fuest, Sandra A1 - Behbahani, Mehdi A1 - Barbeck, Mike A1 - Rutkowski, Rico A1 - Burg, Simon A1 - Kluwe, Lan A1 - Henningsen, Anders T1 - Production and Characterization of Porous Fibroin Scaffolds for Regenerative Medical Application JF - In Vivo Y1 - 2019 U6 - https://doi.org/10.21873/invivo.11536 SN - 1791-7549 VL - 33 IS - 3 SP - 757 EP - 762 ER - TY - JOUR A1 - Kodomskoi, Leonid A1 - Kotliar, Konstantin A1 - Schröder, Andreas A1 - Weiss, Michael A1 - Hille, Konrad T1 - Suture-Probe Canaloplasty as an Alternative to Canaloplasty using the iTrack™ Microcatheter JF - Journal of Glaucoma Y1 - 2019 U6 - https://doi.org/10.1097/IJG.0000000000001321 SN - 1057-0829 IS - Epub ahead of print PB - Lippincott Williams & Wilkins CY - Philadelphia ER - TY - JOUR A1 - Gerhards, Michael A1 - Sander, Volker A1 - Zivkovic, Miroslav A1 - Belloum, Adam A1 - Bubak, Marian T1 - New approach to allocation planning of many‐task workflows on clouds JF - Concurrency and Computation: Practice and Experience N2 - Experience has shown that a priori created static resource allocation plans are vulnerable to runtime deviations and hence often become uneconomic or highly exceed a predefined soft deadline. The assumption of constant task execution times during allocation planning is even more unlikely in a cloud environment where virtualized resources vary in performance. Revising the initially created resource allocation plan at runtime allows the scheduler to react on deviations between planning and execution. Such an adaptive rescheduling of a many-task application workflow is only feasible, when the planning time can be handled efficiently at runtime. In this paper, we present the static low-complexity resource allocation planning algorithm (LCP) applicable to efficiently schedule many-task scientific application workflows on cloud resources of different capabilities. The benefits of the presented algorithm are benchmarked against alternative approaches. The benchmark results show that LCP is not only able to compete against higher complexity algorithms in terms of planned costs and planned makespan but also outperforms them significantly by magnitudes of 2 to 160 in terms of required planning time. Hence, LCP is superior in terms of practical usability where low planning time is essential such as in our targeted online rescheduling scenario. Y1 - 2020 U6 - https://doi.org/10.1002/cpe.5404 SN - 1532-0634 VL - 32 IS - 2 Article e5404 SP - 1 EP - 16 PB - Wiley CY - Chichester ER - TY - JOUR A1 - Noureddine, Yacine A1 - Kraff, Oliver A1 - Ladd, Mark E. A1 - Wrede, Karsten A1 - Chen, Bixia A1 - Quick, Harald H. A1 - Schaefers, Georg A1 - Bitz, Andreas T1 - Radiofrequency induced heating around aneurysm clips using a generic birdcage head coil at 7 Tesla under consideration of the minimum distance to decouple multiple aneurysm clips JF - Magnetic Resonance in Medicine Y1 - 2019 U6 - https://doi.org/10.1002/mrm.27835 SN - 1522-2594 IS - Early view SP - 1 EP - 17 PB - Wiley CY - Weinheim ER - TY - JOUR A1 - Dantism, Shahriar A1 - Röhlen, Desiree A1 - Selmer, Thorsten A1 - Wagner, Torsten A1 - Wagner, Patrick A1 - Schöning, Michael Josef T1 - Quantitative differential monitoring of the metabolic activity of Corynebacterium glutamicum cultures utilizing a light-addressable potentiometric sensor system JF - Biosensors and Bioelectronics Y1 - 2019 U6 - https://doi.org/10.1016/j.bios.2019.111332 VL - 139 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Moret, J.L.T.M. A1 - Alkemade, J. A1 - Upcraft, T.M. A1 - Paulßen, Elisabeth A1 - Wolterbeek, H.T. A1 - Ommen, J.R. van A1 - Denkova, A.G. T1 - The application of atomic layer deposition in the production of sorbents for ⁹⁹Mo/⁹⁹ᵐTc generator JF - Applied Radiation and Isotopes N2 - New production routes for ⁹⁹Mo are steadily gaining importance. However, the obtained specific activity is much lower than currently produced by the fission of U-235. To be able to supply hospitals with ⁹⁹Mo/⁹⁹ᵐTc generators with the desired activity, the adsorption capacity of the column material should be increased. In this paper we have investigated whether the gas phase coating technique Atomic Layer Deposition (ALD), which can deposit ultra-thin layers on high surface area materials, can be used to attain materials with high adsorption capacity for ⁹⁹Mo. For this purpose, ALD was applied on a silica-core sorbent material to coat it with a thin layer of alumina. This sorbent material shows to have a maximum adsorption capacity of 120 mg/g and has a ⁹⁹ᵐTc elution efficiency of 55 ± 2% based on 3 executive elutions. Y1 - 2020 U6 - https://doi.org/10.1016/j.apradiso.2020.109266 SN - 0969-8043 VL - 164 IS - 109266 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Weber, Tobias A1 - Englhard, Markus A1 - Arent, Jan-Christoph A1 - Hausmann, Joachim T1 - An experimental characterization of wrinkling generated during prepreg autoclave manufacturing using caul plates JF - Journal of Composite Materials Y1 - 2019 U6 - https://doi.org/10.1177/0021998319846556 SN - 1530-793X VL - 53 IS - 26-27 SP - 3757 EP - 3773 ER - TY - JOUR A1 - Otten, Dennis A1 - Weber, Tobias A1 - Arent, Jan-Christoph T1 - Manufacturing Process Simulation – On Its Way to Industrial Application JF - International Journal of Aviation, Aeronautics, and Aerospace N2 - Manufacturing process simulation (MPS) has become more and more important for aviation and the automobile industry. A highly competitive market requires the use of high performance metals and composite materials in combination with reduced manufacturing cost and time as well as a minimization of the time to market for a new product. However, the use of such materials is expensive and requires sophisticated manufacturing processes. An experience based process and tooling design followed by a lengthy trial-and-error optimization is just not contemporary anymore. Instead, a tooling design process aided by simulation is used more often. This paper provides an overview of the capabilities of MPS in the fields of sheet metal forming and prepreg autoclave manufacturing of composite parts summarizing the resulting benefits for tooling design and manufacturing engineering. The simulation technology is explained briefly in order to show several simplification and optimization techniques for developing industrialized simulation approaches. Small case studies provide examples of an efficient application on an industrial scale. Y1 - 2018 U6 - https://doi.org/10.15394/ijaaa.2018.1217 SN - 2374-6793 VL - 5 IS - 2 PB - Embry-Riddle Aeronautical University CY - Daytona Beach, Fla. 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 - https://doi.org/10.15394/ijaaa.2017.1153 SN - 2374-6793 VL - 4 IS - 1 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 - https://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 - 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 - https://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 - 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 - https://doi.org/10.3390/en13102552 SN - 1996-1073 VL - 13 IS - 10 SP - Article 2552 PB - MDPI CY - Basel ER - TY - JOUR A1 - Keller, Johannes A1 - Rath, Volker A1 - Bruckmann, Johanna A1 - Mottaghy, Darius A1 - Clauser, Christoph A1 - Wolf, Andreas A1 - Seidler, Ralf A1 - Bücker, H. Martin A1 - Klitzsch, Norbert T1 - SHEMAT-Suite: An open-source code for simulating flow, heat and species transport in porous media JF - SoftwareX N2 - SHEMAT-Suite is a finite-difference open-source code for simulating coupled flow, heat and species transport in porous media. The code, written in Fortran-95, originates from geoscientific research in the fields of geothermics and hydrogeology. It comprises: (1) a versatile handling of input and output, (2) a modular framework for subsurface parameter modeling, (3) a multi-level OpenMP parallelization, (4) parameter estimation and data assimilation by stochastic approaches (Monte Carlo, Ensemble Kalman filter) and by deterministic Bayesian approaches based on automatic differentiation for calculating exact (truncation error-free) derivatives of the forward code. Y1 - 2020 U6 - https://doi.org/10.1016/j.softx.2020.100533 SN - 2352-7110 VL - 12 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Nobis, Moritz A1 - Schmitt, Carlo A1 - Schemm, Ralf A1 - Schnettler, Armin T1 - Pan-European CVAR-constrained stochastic unit commitment in day-ahead and intraday electricity markets JF - Energies N2 - The fundamental modeling of energy systems through individual unit commitment decisions is crucial for energy system planning. However, current large-scale models are not capable of including uncertainties or even risk-averse behavior arising from forecasting errors of variable renewable energies. However, risks associated with uncertain forecasting errors have become increasingly relevant within the process of decarbonization. The intraday market serves to compensate for these forecasting errors. Thus, the uncertainty of forecasting errors results in uncertain intraday prices and quantities. Therefore, this paper proposes a two-stage risk-constrained stochastic optimization approach to fundamentally model unit commitment decisions facing an uncertain intraday market. By the nesting of Lagrangian relaxation and an extended Benders decomposition, this model can be applied to large-scale, e.g., pan-European, power systems. The approach is applied to scenarios for 2023—considering a full nuclear phase-out in Germany—and 2035—considering a full coal phase-out in Germany. First, the influence of the risk factors is evaluated. Furthermore, an evaluation of the market prices shows an increase in price levels as well as an increasing day-ahead-intraday spread in 2023 and in 2035. Finally, it is shown that intraday cross-border trading has a significant influence on trading volumes and prices and ensures a more efficient allocation of resources. Y1 - 2020 U6 - https://doi.org/10.3390/en13092339 SN - 1996-1073 N1 - Special Issue Uncertainties and Risk Management in Competitive Energy Markets VL - 13 IS - Art. 2339 SP - 1 EP - 35 PB - MDPI CY - Basel ER - TY - JOUR A1 - Emhardt, Selina A1 - Jarodzka, Halszka A1 - Brand-Gruwel, Saskia A1 - Drumm, Christian A1 - Gog, Tamara van T1 - Introducing eye movement modeling examples for programming education and the role of teacher's didactic guidance JF - ETRA '20 Short Papers: ACM Symposium on Eye Tracking Research and Applications N2 - In this article, we introduce how eye-tracking technology might become a promising tool to teach programming skills, such as debugging with ‘Eye Movement Modeling Examples’ (EMME). EMME are tutorial videos that visualize an expert's (e.g., a programming teacher's) eye movements during task performance to guide students’ attention, e.g., as a moving dot or circle. We first introduce the general idea behind the EMME method and present studies that showed first promising results regarding the benefits of EMME to support programming education. However, we argue that the instructional design of EMME varies notably across them, as evidence-based guidelines on how to create effective EMME are often lacking. As an example, we present our ongoing research on the effects of different ways to instruct the EMME model prior to video creation. Finally, we highlight open questions for future investigations that could help improving the design of EMME for (programming) education. Y1 - 2020 U6 - https://doi.org/10.1145/3379156.3391978 IS - Art. 52 SP - 1 EP - 4 PB - ACM CY - New York ER - TY - JOUR A1 - Heinke, Lars N. A1 - Knicker, Axel J. A1 - Albracht, Kirsten T1 - Increased shoulder muscle stretch reflex elicitability in supine subject posture JF - Isokinetics and Exercise Science N2 - BACKGROUND: Muscle stretch reflexes are widely used to examine neural muscle function. The knowledge of reflex response in muscles crossing the shoulder is limited. OBJECTIVE: To quantify reflex modulation according to various subject postures and different procedures of muscle pre-activation steering. METHODS: Thirteen healthy male participants performed two sets of external shoulder rotation stretches in various positions and with different procedures of muscle pre-activation steering on an isokinetic dynamometer over a range of two different pre-activation levels. All stretches were applied with a dynamometer acceleration of 104∘/s2 and a velocity of 150∘/s. Electromyographical response was measured via sEMG. RESULTS: Consistent reflexive response was observed in all tested muscles in all experimental conditions. The reflex elicitation rate revealed a significant muscle main effect (F (5,288) = 2.358, ρ= 0.040; η2= 0.039; f= 0.637) and a significant test condition main effect (F (1,288) = 5.884, ρ= 0.016; η2= 0.020; f= 0.143). Reflex latency revealed a significant muscle pre-activation level main effect (F (1,274) = 5.008, ρ= 0.026; η2= 0.018; f= 0.469). CONCLUSION: Muscular reflexive response was more consistent in the primary internal rotators of the shoulder. Supine posture in combination with visual feedback of muscle pre-activation level enhanced the reflex elicitation rate. Y1 - 2020 U6 - https://doi.org/10.3233/IES-192219 SN - 1878-5913 VL - 28 IS - 2 SP - 139 EP - 146 PB - IOS Press CY - Amsterdam ER - TY - JOUR A1 - Schiedermeier, Maximilian A1 - Rettner, Cornelius A1 - Heilmann, Marcel A1 - Schneider, Felix A1 - Marz, Martin T1 - Interference of automotive HV-DC-systems by traction voltage-source-inverters (VSI) JF - 2019 IEEE Transportation Electrification Conference (ITEC-India) Y1 - 2019 U6 - https://doi.org/10.1109/ITEC-India48457.2019.ITECINDIA2019-37 SP - 1 EP - 6 PB - IEEE CY - New York ER - TY - JOUR A1 - Hoeveler, B. A1 - Bauknecht, André A1 - Wolf, C. Christian A1 - Janser, Frank T1 - Wind-Tunnel Study of a Wing-Embedded Lifting Fan Remaining Open in Cruise Flight JF - Journal of Aircraft N2 - It is investigated whether a nonrotating lifting fan remaining uncovered during cruise flight, as opposed to being covered by a shutter system, can be realized with limited additional drag and loss of lift during cruise flight. A wind-tunnel study of a wing-embedded lifting fan has been conducted at the Side Wind Test Facility Göttingen of DLR, German Aerospace Center in Göttingen using force, pressure, and stereoscopic particle image velocimetry techniques. The study showed that a step on the lower side of the wing in front of the lifting fan duct increases the lift-to-drag ratio of the whole model by up to 25% for all positive angles of attack. Different sizes and inclinations of the step had limited influence on the surface pressure distribution. The data indicate that these parameters can be optimized to maximize the lift-to-drag ratio. A doubling of the curvature radius of the lifting fan duct inlet lip on the upper side of the wing affected the lift-to-drag ratio by less than 1%. The lifting fan duct inlet curvature can therefore be optimized to maximize the vertical fan thrust of the rotating lifting fan during hovering without affecting the cruise flight performance with a nonrotating fan. Y1 - 2020 U6 - https://doi.org/10.2514/1.C035422 SN - 1533-3868 VL - 57 IS - 4 PB - AIAA CY - Reston, Va. ER - TY - JOUR A1 - Choi, Chang-Hoon A1 - Felder, Tim A1 - Felder, Jörg A1 - Tellmann, Lutz A1 - Hong, Suk-Min A1 - Wegener, Hans-Peter A1 - Shah, N Jon A1 - Ziemons, Karl T1 - Design, evaluation and comparison of endorectal coils for hybrid MR-PET imaging of the prostate JF - Physics in Medicine & Biology N2 - Prostate cancer is one of the most common cancers among men and its early detection is critical for its successful treatment. The use of multimodal imaging, such as MR-PET, is most advantageous as it is able to provide detailed information about the prostate. However, as the human prostate is flexible and can move into different positions under external conditions, it is important to localise the focused region-of-interest using both MRI and PET under identical circumstances. In this work, we designed five commonly used linear and quadrature radiofrequency surface coils suitable for hybrid MR-PET use in endorectal applications. Due to the endorectal design and the shielded PET insert, the outer face of the coils investigated was curved and the region to be imaged was outside the volume of the coil. The tilting angles of the coils were varied with respect to the main magnetic field direction. This was done to approximate the various positions from which the prostate could be imaged. The transmit efficiencies and safety excitation efficiencies from simulations, together with the signal-to-noise ratios from the MR images were calculated and analysed. Overall, it was found that the overlapped loops driven in quadrature were superior to the other types of coils we tested. In order to determine the effect of the different coil designs on PET, transmission scans were carried out, and it was observed that the differences between attenuation maps with and without the coils were negligible. The findings of this work can provide useful guidance for the integration of such coil designs into MR-PET hybrid systems in the future. Y1 - 2020 U6 - https://doi.org/10.1088/1361-6560/ab87f8 SN - 0031-9155 VL - 65 IS - 11 PB - IOP CY - Bristol ER - TY - JOUR A1 - Khayyam, Hamid A1 - Jamali, Ali A1 - Bab-Hadiashar, Alireza A1 - Esch, Thomas A1 - Ramakrishna, Seeram A1 - Jalili, Mahdi A1 - Naebe, Minoo T1 - A Novel Hybrid Machine Learning Algorithm for Limited and Big Data Modeling with Application in Industry 4.0 JF - IEEE Access N2 - To meet the challenges of manufacturing smart products, the manufacturing plants have been radically changed to become smart factories underpinned by industry 4.0 technologies. The transformation is assisted by employment of machine learning techniques that can deal with modeling both big or limited data. This manuscript reviews these concepts and present a case study that demonstrates the use of a novel intelligent hybrid algorithms for Industry 4.0 applications with limited data. In particular, an intelligent algorithm is proposed for robust data modeling of nonlinear systems based on input-output data. In our approach, a novel hybrid data-driven combining the Group-Method of Data-Handling and Singular-Value Decomposition is adapted to find an offline deterministic model combined with Pareto multi-objective optimization to overcome the overfitting issue. An Unscented-Kalman-Filter is also incorporated to update the coefficient of the deterministic model and increase its robustness against data uncertainties. The effectiveness of the proposed method is examined on a set of real industrial measurements. Y1 - 2020 U6 - https://doi.org/10.1109/ACCESS.2020.2999898 SN - 2169-3536 VL - 8 IS - Art. 9108222 SP - 111381 EP - 111393 PB - IEEE CY - New York, NY ER - TY - JOUR A1 - Svaneborg, Carsten A1 - Karimi-Varzaneh, Hossein Ali A1 - Hojdis, Nils A1 - Fleck, Franz A1 - Everaers, Ralf T1 - Multiscale approach to equilibrating model polymer melts JF - Physical Review E N2 - We present an effective and simple multiscale method for equilibrating Kremer Grest model polymer melts of varying stiffness. In our approach, we progressively equilibrate the melt structure above the tube scale, inside the tube and finally at the monomeric scale. We make use of models designed to be computationally effective at each scale. Density fluctuations in the melt structure above the tube scale are minimized through a Monte Carlo simulated annealing of a lattice polymer model. Subsequently the melt structure below the tube scale is equilibrated via the Rouse dynamics of a force-capped Kremer-Grest model that allows chains to partially interpenetrate. Finally the Kremer-Grest force field is introduced to freeze the topological state and enforce correct monomer packing. We generate 15 melts of 500 chains of 10.000 beads for varying chain stiffness as well as a number of melts with 1.000 chains of 15.000 monomers. To validate the equilibration process we study the time evolution of bulk, collective, and single-chain observables at the monomeric, mesoscopic, and macroscopic length scales. Extension of the present method to longer, branched, or polydisperse chains, and/or larger system sizes is straightforward. Y1 - 2016 U6 - https://doi.org/10.1103/PhysRevE.94.032502 SN - 2470-0053 VL - 94 IS - 032502 PB - AIP Publishing CY - Melville, NY ER - TY - JOUR A1 - Schwab, Lukas A1 - Hojdis, Nils A1 - Lacayo, Jorge A1 - Wilhelm, Manfred T1 - Fourier-Transform Rheology of Unvulcanized, Carbon Black Filled Styrene Butadiene Rubber JF - Macromolecular Materials and Engineering N2 - Rubber materials filled with reinforcing fillers display nonlinear rheological behavior at small strain amplitudes below γ0 < 0.1. Nevertheless, rheological data are analyzed mostly in terms of linear parameters, such as shear moduli (G′, G″), which loose their physical meaning in the nonlinear regime. In this work styrene butadiene rubber filled with carbon black (CB) under large amplitude oscillatory shear (LAOS) is analyzed in terms of the nonlinear parameter I3/1. Three different CB grades are used and the filler load is varied between 0 and 70 phr. It is found that I3/1(φ) is most sensitive to changes of the total accessible filler surface area at low strain amplitudes (γ0 = 0.32). The addition of up to 70 phr CB leads to an increase of I3/1(φ) by a factor of more than ten. The influence of the measurement temperature on I3/1 is pronounced for CB levels above the percolation threshold. Y1 - 2016 U6 - https://doi.org/10.1002/mame.201500356 SN - 1439-2054 VL - 301 IS - 4 SP - 457 EP - 468 PB - Wiley-VCH CY - Weinheim ER - TY - JOUR A1 - Harish, Ajay B. A1 - Wriggers, Peter A1 - Jungk, Juliane A1 - Hojdis, Nils A1 - Recker, Carla T1 - Mesoscale Constitutive Modeling of Non-Crystallizing Filled Elastomers JF - Computational Mechanics N2 - Elastomers are exceptional materials owing to their ability to undergo large deformations before failure. However, due to their very low stiffness, they are not always suitable for industrial applications. Addition of filler particles provides reinforcing effects and thus enhances the material properties that render them more versatile for applications like tyres etc. However, deformation behavior of filled polymers is accompanied by several nonlinear effects like Mullins and Payne effect. To this day, the physical and chemical changes resulting in such nonlinear effect remain an active area of research. In this work, we develop a heterogeneous (or multiphase) constitutive model at the mesoscale explicitly considering filler particle aggregates, elastomeric matrix and their mechanical interaction through an approximate interface layer. The developed constitutive model is used to demonstrate cluster breakage, also, as one of the possible sources for Mullins effect observed in non-crystallizing filled elastomers. Y1 - 2016 U6 - https://doi.org/10.1007/s00466-015-1251-1 SN - 1432-0924 VL - 57 SP - 653 EP - 677 PB - Springer CY - Berlin ER - TY - JOUR A1 - Hentschke, Reinhard A1 - Hager, Jonathan A1 - Hojdis, Nils T1 - Molecular Modeling Approach to the Prediction of Mechanical Properties of Silica-Reinforced Rubbers JF - Journal of Applied Polymer Science N2 - Recently, we have suggested a nanomechanical model for dissipative loss in filled elastomer networks in the context of the Payne effect. The mechanism is based on a total interfiller particle force exhibiting an intermittent loop, due to the combination of short-range repulsion and dispersion forces with a long-range elastic attraction. The sum of these forces leads, under external strain, to a spontaneous instability of “bonds” between the aggregates in a filler network and attendant energy dissipation. Here, we use molecular dynamics simulations to obtain chemically realistic forces between surface modified silica particles. The latter are combined with the above model to estimate the loss modulus and the low strain storage modulus in elastomers containing the aforementioned filler-compatibilizer systems. The model is compared to experimental dynamic moduli of silica filled rubbers. We find good agreement between the model predictions and the experiments as function of the compatibilizer's molecular structure and its bulk concentration. KW - theory and modeling KW - supramolecular structures KW - rubber KW - mechanical properties KW - elastomers Y1 - 2014 U6 - https://doi.org/10.1002/app.40806 SN - 1097-4628 VL - 131 IS - 18 SP - 1 EP - 9 PB - Wiley CY - New York, NY ER - TY - JOUR A1 - Kuhnhenne, Markus A1 - Reger, Vitali A1 - Pyschny, Dominik A1 - Döring, Bernd T1 - Influence of airtightness of steel sandwich panel joints on heat losses JF - E3S Web of Conferences 12th Nordic Symposium on Building Physics (NSB 2020) N2 - Energy saving ordinances requires that buildings must be designed in such a way that the heat transfer surface including the joints is permanently air impermeable. The prefabricated roof and wall panels in lightweight steel constructions are airtight in the area of the steel covering layers. The sealing of the panel joints contributes to fulfil the comprehensive requirements for an airtight building envelope. To improve the airtightness of steel sandwich panels, additional sealing tapes can be installed in the panel joint. The influence of these sealing tapes was evaluated by measurements carried out by the RWTH Aachen University - Sustainable Metal Building Envelopes. Different installation situations were evaluated by carrying out airtightness tests for different joint distances. In addition, the influence on the heat transfer coefficient was also evaluated using the Finite Element Method (FEM). The combination of obtained air volume flow and transmission losses enables to create an "effective heat transfer coefficient" due to transmission and infiltration. This summarizes both effects in one value and is particularly helpful for approximate calculations on energy efficiency. Y1 - 2020 U6 - https://doi.org/10.1051/e3sconf/202017205008 VL - 172 IS - Art. 05008 PB - EDP Sciences CY - Les Ulis ER - TY - JOUR A1 - Kunkel, Maximilian Hugo A1 - Gebhardt, Andreas A1 - Mpofu, Khumbulani A1 - Kallweit, Stephan T1 - Quality assurance in metal powder bed fusion via deep-learning-based image classification JF - Rapid Prototyping Journal Y1 - 2019 U6 - https://doi.org/10.1108/RPJ-03-2019-0066 SN - 1355-2546 VL - 26 IS - 2 SP - 259 EP - 266 ER - TY - JOUR A1 - Maurischat, Andreas A1 - Perkins, Rudolph T1 - Taylor coefficients of Anderson generating functions and Drinfeld torsion extensions N2 - We generalize our work on Carlitz prime power torsion extension to torsion extensions of Drinfeld modules of arbitrary rank. As in the Carlitz case, we give a description of these extensions in terms of evaluations of Anderson generating functions and their hyperderivatives at roots of unity. We also give a direct proof that the image of the Galois representation attached to the p-adic Tate module lies in the p-adic points of the motivic Galois group. This is a generalization of the corresponding result of Chang and Papanikolas for the t-adic case. Y1 - 2020 U6 - https://doi.org/10.1142/S1793042122500099 IS - Vol. 18, No. 01 SP - 113 EP - 130 PB - World Scientific CY - Singapur ER - TY - JOUR A1 - El Moussaoui, Noureddine A1 - Talbi, Sofian A1 - Atmane, Ilyas A1 - Kassmi, Khalil A1 - Schwarzer, Klemens A1 - Chayeb, Hamid A1 - Bachiri, Najib T1 - Feasibility of a new design of a Parabolic Trough Solar Thermal Cooker (PSTC) JF - Solar Energy N2 - In this article, we describe the structure, the functioning, and the tests of parabolic trough solar thermal cooker (PSTC). This oven is designed to meet the needs of rural residents, including Urban, which requires stable cooking temperatures above 200 °C. The cooking by this cooker is based on the concentration of the sun's rays on a glass vacuum tube and heating of the oil circulate in a big tube, located inside the glass tube. Through two small tubes, associated with large tube, the heated oil, rise and heats the pot of cooking pot containing the food to be cooked (capacity of 5 kg). This cooker is designed in Germany and extensively tested in Morocco for use by the inhabitants who use wood from forests. During a sunny day, having a maximum solar radiation around 720 W/m2 and temperature ambient around 26 °C, maximum temperatures recorded of the small tube, the large tube and the center of the pot are respectively: 370 °C, 270 °C and 260 °C. The cooking process with food at high (fries, ..), we show that the cooking oil temperature rises to 200 °C, after 1 h of heating, the cooking is done at a temperature of 120 °C for 20 min. These temperatures are practically stable following variations and decreases in the intensity of irradiance during the day. The comparison of these results with those of the literature shows an improvement of 30–50 % on the maximum value of the temperature with a heat storage that could reach 60 min of autonomy. All the results obtained show the good functioning of the PSTC and the feasibility of cooking food at high temperature (>200 °C). Y1 - 2020 U6 - https://doi.org/10.1016/j.solener.2020.03.079 SN - 0038-092X VL - 201 IS - Vol. 201 (May 2020) SP - 866 EP - 871 PB - Elsevier CY - Amsterdam ER - TY - JOUR A1 - Müller, Wolfram A1 - Jung, Alexander A1 - Ahammer, Helmut T1 - Advantages and problems of nonlinear methods applied to analyze physiological time signals: human balance control as an example JF - Scientific Reports Y1 - 2017 SN - 2045-2322 U6 - https://doi.org/10.1038/s41598-017-02665-5 VL - 7 IS - Article number 2464 SP - 1 EP - 11 PB - Springer Nature CY - Cham ER - TY - JOUR A1 - Orzada, Stephan A1 - Fiedler, Thomas M. A1 - Bitz, Andreas A1 - Ladd, Mark E. A1 - Quick, Harald H. T1 - Local SAR compression with overestimation control to reduce maximum relative SAR overestimation and improve multi-channel RF array performance JF - Magnetic Resonance Materials in Physics, Biology and Medicine N2 - Objective In local SAR compression algorithms, the overestimation is generally not linearly dependent on actual local SAR. This can lead to large relative overestimation at low actual SAR values, unnecessarily constraining transmit array performance. Method Two strategies are proposed to reduce maximum relative overestimation for a given number of VOPs. The first strategy uses an overestimation matrix that roughly approximates actual local SAR; the second strategy uses a small set of pre-calculated VOPs as the overestimation term for the compression. Result Comparison with a previous method shows that for a given maximum relative overestimation the number of VOPs can be reduced by around 20% at the cost of a higher absolute overestimation at high actual local SAR values. Conclusion The proposed strategies outperform a previously published strategy and can improve the SAR compression where maximum relative overestimation constrains the performance of parallel transmission. Y1 - 2020 SN - 1352-8661 U6 - https://doi.org/10.1007/s10334-020-00890-0 IS - 34 (2021) SP - 153 EP - 164 PB - Springer CY - Heidelberg ER - TY - JOUR A1 - Ulmer, Jessica A1 - Braun, Sebastian A1 - Cheng, Chi-Tsun A1 - Dowey, Steve A1 - Wollert, Jörg T1 - Human-Centered Gamification Framework for Manufacturing Systems JF - Procedia CIRP N2 - While bringing new opportunities, the Industry 4.0 movement also imposes new challenges to the manufacturing industry and all its stakeholders. In this competitive environment, a skilled and engaged workforce is a key to success. Gamification can generate valuable feedbacks for improving employees’ engagement and performance. Currently, Gamification in workspaces focuses on computer-based assignments and training, while tasks that require manual labor are rarely considered. This research provides an overview of Enterprise Gamification approaches and evaluates the challenges. Based on that, a skill-based Gamification framework for manual tasks is proposed, and a case study in the Industry 4.0 model factory is shown. Y1 - 2020 U6 - https://doi.org/10.1016/j.procir.2020.04.076 SN - 2212-8271 VL - 93 SP - 670 EP - 675 PB - Elsevier CY - Amsterdam 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 - 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 - 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 - https://doi.org/10.1021/acs.macromol.7b00947 SN - 1520-5835 VL - 50 IS - 17 SP - 6679 EP - 6689 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 - https://doi.org/10.1021/acs.macromol.5b01864 SN - 1520-5835 VL - 48 IS - 24 SP - 9039 EP - 9049 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 - https://doi.org/10.1021/ct700178y SN - 1549-9626 VL - 3 IS - 6 SP - 2234 EP - 2242 ER - 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 - Mayer, Jan A1 - Hentschke, Reinhard A1 - Hager, Jonathan A1 - Hojdis, Nils A1 - Karimi-Varnaneh, Hossein Ali T1 - A Nano-Mechanical Instability as Primary Contribution to Rolling Resistance JF - Scientific Reports Y1 - 2017 SN - 2045-2322 VL - 7 IS - Article number 11275 PB - Springer CY - Berlin ER -