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An automated pipeline for comprehensive calculation of intermolecular interaction energies based on molecular force-fields using the Tinker molecular modelling package is presented. Starting with non-optimized chemically intuitive monomer structures, the pipeline allows the approximation of global minimum energy monomers and dimers, configuration sampling for various monomer-monomer distances, estimation of coordination numbers by molecular dynamics simulations, and the evaluation of differential pair interaction energies. The latter are used to derive Flory-Huggins parameters and isotropic particle-particle repulsions for Dissipative Particle Dynamics (DPD). The computational results for force fields MM3, MMFF94, OPLSAA and AMOEBA09 are analyzed with Density Functional Theory (DFT) calculations and DPD simulations for a mixture of the non-ionic polyoxyethylene alkyl ether surfactant C10E4 with water to demonstrate the usefulness of the approach.
A Robust Interface for Head Motion based Control of a Robot Arm using MARG and Visual Sensors
(2018)
Head-controlled human machine interfaces have gained popularity over the past years, especially in the restoration of the autonomy of severely disabled people, like tetraplegics. These interfaces need to be reliable and robust regarding the environmental conditions to guarantee safety of the user and enable a direct interaction between a human and a machine. This paper presents a hybrid MARG and visual sensor system for head orientation estimation which is in this case used to teleoperate a robotic arm. The system contains a Magnetic Angular Rate Gravity (MARG)-sensor and a Tobii eye tracker 4C. A MARG sensor consists of tri-axis accelerometer, gyroscope as well as a magnetometer which enable a complete measurement of orientation relative to the direction of gravity and magnetic field of the earth. The tri-axis magnetometer is sensitive to external magnetic fields which result in incorrect orientation estimation from the sensor fusion process. In this work the Tobii eye tracker 4C is used to increase head orientation estimation because it also features head tracking even though it is commonly used for eye tracking. This type of visual sensor does not suffer magnetic drift. However, it computes orientation data only, if a user is detectable. Within this work a state machine is presented which enables data fusion of the MARG and visual sensor to improve orientation estimation. The fusion of the orientation data of MARG and visual sensors enables a robust interface, which is immune against external magnetic fields. Therefore, it increases the safety of the human machine interaction.
Studiengänge der Medieninformatik variieren in ihren Schwerpunkten ebenso wie in den Berufsbildern, auf die sie vorbereiten. Ein vereinendes Curriculum als Basis für alle Studiengänge ist in Anbetracht der Datenlage ein großes Unterfangen. Als einen ersten Schritt in diese Richtung geht die Fachgruppe Medieninformatik in ihrem diesjährigen Workshop der Frage nach, welche Kernkompetenzen Medieninformatiker*innen im Rahmen ihres Studiums erlangen sollten. Der Beitrag stellt den aktuellen Zwischenstand der Diskussion in der Fachgruppe Medieninformatik und im Arbeitskreises Curriculum dar und soll den Weg zu einer spezifischen Empfehlung für Medieninformatik-Studiengänge vorbereiten und dokumentieren, für die MI-Community, aber auch für alle anderen, die an der Medieninformatik interessiert sind.
In this experimental work we present a novel electrolyzer system for the production of hydrogen and oxygen at high pressure levels without an additional mechanical compressor. Due to its control strategies, the operation conditions for this electrolyzer can be kept optimal for each load situation of the system. Furthermore, the novel system design allows for dynamic long-term operation as well as for easy maintainability. Therefore, the device meets the requirements for prospective power-to-gas applications, especially, in order to store excess energy from renewable sources. A laboratory scale device has been developed and high-pressure operation was validated. We also studied the long-term stability of the system by applying dynamic load cycles with load changes every 30 sec. After 80 h of operation the used membrane electrode assembly (MEA) was investigated by means of SEM, EDX and XRD analysis.
Performance enhancing study for large scale PEM electrolyzer cells based on hydraulic compression
(2017)
A compact and efficient PEM electrolyser stack design based on hydraulic single cell compression
(2019)
Purpose
Although courage has generally been understood as a powerful virtue, research to establish it as a psychological construct is in its infancy. We examined courage in organizations against the backdrop of positive psychology with a design in the Grounded Theory tradition that connects Positive Organizational Behavior and Positive Organizational Scholarship.
Method
The sample consists of organizations that define courage in their mission statement and organizations without such a definition. It includes employees and executives, exploring workplace courage on the macro as well as the micro level. Eleven organizations and 23 participants contributed to the interview study.
Results
Applying Glaser's theoretical coding, specifically the C-family, we propose that courage arises from a decisional conflict in three major domains: the self, social interaction, and performance. It is located on a continuum between apathy and foolhardiness and can take on reactive, proactive, or autonomous forms. Whether and to what extent courage manifests, is a dynamic process contingent upon organizational structure, culture, and communication climate as well as individual cognitiveaffective personality systems.
Limitations
The model depicts the complexity of the phenomenon, rather than details of its individual components. It goes beyond pre-defined categories and prevailing definitions.
Implications
Modern organizations are characterized by volatility, uncertainty, complexity, and ambiguity (VUCA).
Courage is crucial in such an environment and can be systematically fostered across the whole human
resource management cycle.
Value
The study advances theory building on courage in the workplace and highlights its potential to be
measured, developed and managed for more effective work performance.
Improved Plasma Membrane Models as Test Systems for the Membrane
Disrupting Activity of Kalata B1
(2017)
Steps Towards an Open All-in-one Rich-Client Environment for Particle-Based Mesoscopic Simulation
(2018)
Web advertisements are the primary financial source for many online services, but also for cybercriminals. Successful ad campaigns rely on good online profiles of their potential customers. The financial potentials of displaying ads have led to the rise of malware that injects or replaces ads on websites, in particular, so-called adware. This development leads to always further optimized and customized advertising. For these customization's, various tracking methods are used. However, only sparse work has gone into privacy issues emerging from adware. In this paper, we investigate the tracking capabilities and related privacy implications of adware and potentially unwanted programs (PUPs). Therefore, we developed a framework that allows us to analyze any network communication of the Firefox browser on the application level to circumvent encryption like TLS. We use this to dynamically analyze the communication streams of over 16,000 adware or potentially unwanted programs samples that tamper with the users' browser session. Our results indicate that roughly 37% of the requests issued by the analyzed samples contain private information and are accordingly able to track users. Additionally, we analyze which tracking techniques and services are used.
In der modernen Informationsgesellschaft nehmen Online-Transaktionen einen wichtigen Teil unseres täglichen Lebens ein. In dieser Arbeit stellen wir ein nutzerzentriertes Protokoll vor, dass es Nutzern erlaubt vertrauenswürdige und sichere Transkationen durchzuführen selbst wenn sie ein nicht vertrau-enswürdiges oder mit Schadsoftware infiziertes Gerät nutzen. Das Protokoll nutzt einen CAPTCHA-artigen Ansatz, der verhindert, dass ein Angreifer eine Transaktion verändert ohne, dass Server oder Client dies bemerken. Dazu stellen wir dem Nutzer eine Aufgabe die kontextsensitive Informationen der Transaktion enthält. Die Aufgabe wird so gestellt, dass sie einfach von Menschen lösbar ist aber nur schwer automatisiert gelöst werden kann. Zur Evaluation des Systems haben wir eine Nutzerstudie (n=30) durchgeführt und berechnet mit welcher Wahrscheinlichkeit ein Angreifer erfolgreich die richtige Antwort auf die Frage erraten kann. Wir zeigen, dass ein Großteil der Transaktionen (> 94%) geschützt werden kann während das System selbst nutzbar bleibt.
In diesem Artikel wird ein Alert-System für das Online-Banking vorgestellt, welches das Schutzniveau im Kontext von Social-Engineering-Angriffen sowohl clientseitig als auch serverseitig erhöhen soll. Hierfür wird durch das Alert-System ein kontinuierliches Lagebild über die aktuelle Gefahrenlage beim Online-Banking erstellt. Bei konkretem Bedarf wird der Nutzer punktuell vor aktuellen Betrugsmaschen gewarnt und zielgerichtet über Schutzvorkehrungen und Handlungsempfehlungen informiert. Für die Berechnung der aktuellen Gefahrenlage wurden unterschiedliche off-the-shelf-Algorithmen des Maschinellen Lernens verwendet und miteinander verglichen. Die Effektivität des Alert-Systems wurde anhand von echten Betrugsfällen evaluiert, die bei einer Bankengruppe in Deutschland aufgetreten sind. Zusätzlich wurde die Usability des Systems in einer Nutzerstudie mit 50 Teilnehmern untersucht. Die ersten Ergebnisse zeigen, dass die verwendeten Verfahren dazu geeignet sind, die Gefahrenlage im Online-Banking zu beurteilen und dass ein solches Alert-System auf hohe Akzeptanz bei Nutzern stößt.
This technical report is about the architecture and integration of commercial UAVs in Search and Rescue missions. We describe a framework that consists of heterogeneous UAVs, a UAV task planner, a bridge to the UAVs, an intelligent image hub, and a 3D point cloud generator. A first version of the framework was developed and tested in several training missions in the EU project TRADR.
This paper presents a novel approach to build consistent 3D maps for multi robot cooperation in USAR environments. The sensor streams from unmanned aerial vehicles (UAVs) and ground robots (UGV) are fused in one consistent map. The UAV camera data are used to generate 3D point clouds that are fused with the 3D point clouds generated by a rolling 2D laser scanner at the UGV. The registration method is based on the matching of corresponding planar segments that are extracted from the point clouds. Based on the registration, an approach for a globally optimized localization is presented. Apart from the structural information of the point clouds, it is important to mention that no further information is required for the localization. Two examples show the performance of the overall registration.