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Jdpd - An open Java Simulation Kernel for Molecular Fragment Dissipative Particle Dynamics (DPD)
Jdpd is an open Java simulation kernel for Molecular Fragment Dissipative Particle Dynamics (DPD) with parallelizable force calculation, efficient caching options and fast property calculations. It is characterized by an interface and factory-pattern driven design for simple code changes and may help to avoid problems of polyglot programming. Detailed input/output communication, parallelization and process control as well as internal logging capabilities for debugging purposes are supported. The kernel may be utilized in different simulation environments ranging from flexible scripting solutions up to fully integrated “all-in-one” simulation systems like MFsim.
Since Jdpd version 1.6.1.0 Jdpd is available in a (basic) double-precision version and a (derived) single-precision version (= JdpdSP) for all numerical calculations, where the single precision version needs about half the memory of the double precision version.
Jdpd uses the Apache Commons Math and Apache Commons RNG libraries and is published as open source under the GNU General Public License version 3. This repository comprises the Java bytecode libraries (including the Apache Commons Math and RNG libraries), the Javadoc HTML documentation and the Netbeans source code packages including Unit tests.
Jdpd has been described in the scientific literature (the final manuscript 2018 - van den Broek - Jdpd - Final Manucsript.pdf is added to the repository) and used for DPD studies (see references below).
See text file JdpdVersionHistory.txt for a version history with more detailed information.
MFsim - An open Java all-in-one rich-client simulation environment for mesoscopic simulation
MFsim is an open Java all-in-one rich-client computing environment for mesoscopic simulation with Jdpd as its default simulation kernel for Molecular Fragment Dissipative Particle Dynamics (DPD). The environment integrates and supports the complete preparation-simulation-evaluation triad of a mesoscopic simulation task. Productive highlights are a SPICES molecular structure editor, a PDB-to-SPICES parser for particle-based peptide/protein representations, a support of polymer definitions, a compartment editor for complex simulation box start configurations, interactive and flexible simulation box views including analytics, simulation movie generation or animated diagrams. As an open project, MFsim enables customized extensions for different fields of research.
MFsim uses several open libraries (see MFSimVersionHistory.txt for details and references below) and is published as open source under the GNU General Public License version 3 (see LICENSE).
MFsim has been described in the scientific literature and used for DPD studies.
From https://github.com/zielesny/Jdpd:
Jdpd - An open Java Simulation Kernel for Molecular Fragment Dissipative Particle Dynamics (DPD)
Jdpd is an open Java simulation kernel for Molecular Fragment Dissipative Particle Dynamics (DPD) with parallelizable force calculation, efficient caching options and fast property calculations. It is characterized by an interface and factory-pattern driven design for simple code changes and may help to avoid problems of polyglot programming. Detailed input/output communication, parallelization and process control as well as internal logging capabilities for debugging purposes are supported. The kernel may be utilized in different simulation environments ranging from flexible scripting solutions up to fully integrated “all-in-one” simulation systems like MFsim.
Since Jdpd version 1.6.1.0 Jdpd is available in a (basic) double-precision version and a (derived) single-precision version (= JdpdSP) for all numerical calculations, where the single precision version needs about half the memory of the double precision version.
Jdpd uses the Apache Commons Math and Apache Commons RNG libraries and is published as open source under the GNU General Public License version 3. This repository comprises the Java bytecode libraries (including the Apache Commons Math and RNG libraries), the Javadoc HTML documentation and the Netbeans source code packages including Unit tests.
Jdpd has been described in the scientific literature (the final manuscript 2018 - van den Broek - Jdpd - Final Manucsript.pdf is added to the repository) and used for DPD studies (see references below).
See text file JdpdVersionHistory.txt for a version history with more detailed information.
From https://github.com/zielesny/MFsim:
MFsim - An open Java all-in-one rich-client simulation environment for mesoscopic simulation
MFsim is an open Java all-in-one rich-client computing environment for mesoscopic simulation with Jdpd as its default simulation kernel for Molecular Fragment Dissipative Particle Dynamics (DPD). The environment integrates and supports the complete preparation-simulation-evaluation triad of a mesoscopic simulation task. Productive highlights are a SPICES molecular structure editor, a PDB-to-SPICES parser for particle-based peptide/protein representations, a support of polymer definitions, a compartment editor for complex simulation box start configurations, interactive and flexible simulation box views including analytics, simulation movie generation or animated diagrams. As an open project, MFsim enables customized extensions for different fields of research.
MFsim uses several open libraries (see MFSimVersionHistory.txt for details and references below) and is published as open source under the GNU General Public License version 3 (see LICENSE).
MFsim has been described in the scientific literature and used for DPD studies (see references below).
Innovationen nähren Hoffnungen auf Wettbewerbsfähigkeit und
Beschäftigungssicherung. Auch für Betriebsräte wird die Mitgestaltung von
betrieblicher Innovationsfähigkeit zur Herausforderung, zusätzlich zur
traditionellen Wahrung von Schutzrechten. Doch welche Innovationsbeiträge
können die Interessenvertreter leisten? Wie werden Betriebsräte vom
Management in das Innovationsgeschehen vor Ort eingebunden? Und welche
Betriebsrats-Typen sind in innovationsstarken Unternehmen zu finden? Wenig
ist hierüber bekannt, denn obwohl Betriebsräte in der deutschen Wirtschaft
als zentrale betriebliche Akteure etabliert sind, werden sie in Ansätzen der
Innovationsforschung kaum beachtet. Dieser Band greift dieses Defizit auf
und beschreibt Innovationsfähigkeit aus der Perspektive der Betriebsräte.
Empirische Grundlage dafür ist die telefonische Befragung von 1700
Betriebsräten im Rahmen der Betriebsrätebefragung 2008/09 des Wirtschafts-
und Sozialwissenschaftlichen Instituts (WSI) der Hans-Böckler-Stiftung. Der
Themenschwerpunkt "Betriebliche Innovationsfähigkeit" wurde gemeinschaftlich
von WSI und dem Institut für angewandte Innovationsforschung (IAI) e.V. an
der Ruhr-Universität Bochum erarbeitet.
Die Digitalisierung bietet Kommunen und Unternehmen neue Gestaltungsmöglichkeiten im Hinblick auf die Prozesse der Daseinsvorsorge. In dieser Arbeit wird ein Fokus auf die Müllentsorgung gelegt. Basierend auf der Übertragungstechnologie "LoRaWAN" soll mithilfe von Algorithmen ein Konzept ausgearbeitet werden, dass die Müllentsorgung erleichtert.
Im Vorfeld wird geprüft, welche Konzepte andere Städte bereits vorweisen, um dann im Anschluss ein Konzept für die Stadt Gelsenkirchen zu entwickeln. Unter Verwendung der Graphentheorie sollen die kürzesten Wege gefunden werden, um diese mit Methoden der Statistik zu erweitern. Dies soll eine Möglichkeit bieten, bereits im Vorfeld Prognosen über Füllstände zu ermöglichen.
Durch den digitalen Wandel haben Kommunen neue Entwicklungsmöglichkeiten im Bereich der Smart City. Diese Arbeit stellt eine Übersicht darüber dar, wie mithilfe von IoT, Big Data, Datenbanken, Digitalen Zwillingen und weiteren Technologien, eine Mikroklima-Analyse und Steuerung ermöglicht werden kann.
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.
Grundkurs C++
(2022)
Das gesamte Grundwissen zu C++ im praktischen Taschenbuchformat – zum Lernen und Nachschlagen. Vom ersten einfachen Programm bis zu komplexen Anwendungen. Übungen am Ende jedes Kapitels helfen Ihnen bei der Lernkontrolle. Sämtliche Grundlagen (Klassen, Vererbung, Polymorphie, Templates usw.) werden kurz und übersichtlich dargestellt. Diese dritte Auflage berücksichtigt aktuelle Standars bis C++20.
Die Kommunikation zwischen Handel und Kunden hat in den letzten Jahren einen deutlichen Wandel durch den Einfluss der digitalen Medien erfahren. Viele Händler fühlen sich von diesem Wandel bedroht und sehen noch nicht das ganzheitliche Potential, welches mit dieser grundlegenden digitalen Veränderung einhergeht. Gerade für den stationären Handel wird es zunehmend wichtiger, die Kommunikationsstrategie neu auszurichten und zu definieren. Sie erfahren einen zunehmenden Druck durch das starke Angebot von Händlern im Internet. Deshalb ist es für die stationär Ansässigen von extremer Wichtigkeit, ihre bisherigen Strategien der Kommunikation zum Kunden zu überdenken. Heutzutage sind diese vorwiegend digital unterwegs und erwarten von Händlern, von diesen auf Augenhöhe angesprochen zu werden. 90% der Menschen, welche heutzutage „online sind“, nutzen soziale Medien1. Die Nutzungszeiten der digitalen Medien steigen stetig weiter an und Händler versuchen dennoch, ihre Kunden ausschließlich über analoge/klassische Medien zu erreichen. Besonders der Bereich des Social-Media-Marketings eröffnet dem stationären Handel neue Optionen zur Kundenakquise und Kundenbindung. Durch auf den Kunden ausgelegte Inhalte, ist es möglich eine Beziehung aufzubauen, welche im Endeffekt zu Loyalität auf Kundenseite führen können. Marketing-Maßnahmen in den sozialen Medien bieten die Möglichkeit, kostengünstig und zielgruppenkonform zu werben und schaffen bei richtiger Anwendung Vertrauen und Interesse beim Kunden. Ebenfalls ist die Google-Optimierung ein wesentlicher Faktor, welcher die Kaufentscheidung positiv beeinflussen kann, da eine Recherche vor dem eigentlichen Einkaufen stattfindet. Deshalb sind Kontrolle und Steuerung der zu findenden Informationen über das eigene Unternehmen von großer Bedeutung.
The set of transactions that occurs on the public ledger of an Ethereum network in a specific time frame can be represented as a directed graph, with vertices representing addresses and an edge indicating the interaction between two addresses.
While there exists preliminary research on analyzing an Ethereum network by the means of graph analysis, most existing work is focused on either the public Ethereum Mainnet or on analyzing the different semantic transaction layers using static graph analysis in order to carve out the different network properties (such as interconnectivity, degrees of centrality, etc.) needed to characterize a blockchain network. By analyzing the consortium-run bloxberg Proof-of-Authority (PoA) Ethereum network, we show that we can identify suspicious and potentially malicious behaviour of network participants by employing statistical graph analysis. We thereby show that it is possible to identify the potentially malicious
exploitation of an unmetered and weakly secured blockchain network resource. In addition, we show that Temporal Network Analysis is a promising technique to identify the occurrence of anomalies in a PoA Ethereum network.
With ongoing developments in the field of smart cities and digitalization in general, data is becoming a driving factor and value stream for new and existing economies alike. However, there exists an increasing centralization and monopolization of data holders and service providers, especially in the form of the big US-based technology companies in the western world and central technology providers with close ties to the government in the Asian regions. Self Sovereign Identity (SSI) provides the technical building blocks to create decentralized data-driven systems, which bring data autonomy back to the users. In this paper we propose a system in which the combination of SSI and token economy based incentivisation strategies makes it possible to unlock the potential value of data-pools without compromising the data autonomy of the users.
Proof of Existence as a blockchain service has first been published in 2013 as a public notary service on the Bitcoin network and can be used to verify the existence of a particular file in a specific point of time without sharing the file or its content itself. This service is also available on the Ethereum based bloxberg network, a decentralized research infrastructure that is governed, operated and developed by an international consortium of research facilities. Since it is desirable to integrate the creation of this proof tightly into the research workflow, namely the acquisition and processing of research data, we show a simple to integrate MATLAB extension based solution with the concept being applicable to other programming languages and environments as well.
A Crypto-Token Based Charging Incentivization
Scheme for Sustainable Light Electric Vehicle
Sharing
(2021)
The ecological impact of shared light electric vehicles (LEV) such as kick scooters is still widely discussed. Especially the fact that the vehicles and batteries are collected using diesel vans in order to charge empty batteries with electricity of unclear origin is perceived as unsustainable. A better option could be to let the users charge the vehicles themselves whenever it is necessary. For this, a decentralized,flexible and easy to install network of off-grid solar charging stations could bring renewable electricity where it is needed without sacrificing the convenience of a free float sharing system. Since the charging stations are powered by solar energy the most efficient way to utilize them would be to charge the vehicles when the sun is shining. In order to make users charge the vehicle it is necessary to provide some form of benefit for
them doing so. This could be either a discount or free rides. A
particularly robust and well-established mechanism is controlling incentives via means of blockchain-based cryptotokens. This paper demonstrates a crypto-token based scheme for incentivizing users to charge sharing vehicles during times of considerable solar irradiation in order to contribute to more sustainable mobility services.
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.
The technology of polymer electrolyte membrane (PEM) electrolysis provides an efficient way to produce hydrogen. In combination with renewable energy sources, it promises to be one of the key factors towards a carbon-free energy infrastructure in the future. Today, PEM electrolyzers with a power consumption higher than 1 MW and a gas output pressure of 30 bar (or even higher) are already commercially available. Nevertheless, fundamental research and development for an improved efficiency is far from being finally accomplished, and mostly takes place on a laboratory scale. Upscaling the laboratory prototypes to an industrial size usually cannot be achieved without facing further problems and/or losing efficiency. With our novel system design based on hydraulic cell compression, a lot of the commonly occurring problems like inhomogeneous temperature and current distribution can be avoided. In this study we present first results of an upscaling by a factor of 30 in active cell area.
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.