Fachlich erweiterbare 3D-Stadtmodelle – Management, Visualisierung und Interaktion

Domain-extendable semantic 3D city models are complex mappings and inventories of the urban environment which can be utilized as an integrative information backbone to facilitate a range of application fields like urban planning, environmental simulations, disaster management, and energy assessment. Today, more and more countries and cities worldwide are creating their own 3D city models based on the CityGML specification which is an international standard issued by the Open Geospatial Consortium (OGC) to provide an open data model and XML-based format for describing the relevant urban objects with regards to their 3D geometry, topology, semantics, and appearance. It especially provides a flexible and systematic extension mechanism called “Application Domain Extension (ADE)” which allows third parties to dynamically extend the existing CityGML definitions with additional information models from different application domains for representing the extended or newly introduced geographic object types within a common framework. However, due to the consequent large size and high model complexity, the practical utilization of country-wide CityGML datasets has posed a tremendous challenge regarding the setup of an extensive application system to support the efficient data storage, analysis, management, interaction, and visualization. These requirements have been partly solved by the existing free 3D geo-database solution called ‘3D City Database (3DCityDB)’ which offers a rich set of functionalities for dealing with standard CityGML data models, but lacked the support for CityGML ADEs. The key motivation of this thesis is to develop a reliable approach for extending the existing database solution to support the efficient management, visualization, and interaction of large geospatial data elements of arbitrary CityGML ADEs. Emphasis is first placed on answering the question of how to dynamically extend the relational database schema by parsing and interpreting the XML schema files of the ADE and dynamically create new database tables accordingly. Based on a comprehensive survey of the related work, a new graph-based framework has been proposed which uses typed and attributed graphs for semantically representing the object-oriented data models of CityGML ADEs and utilizes graph transformation systems to automatically generate compact table structures extending the 3DCityDB. The transformation process is performed by applying a series of fine-grained graph transformation rules which allow users to declaratively describe the complex mapping rules including the optimization concepts that are employed in the development of the 3DCityDB database schema. The second major contribution of this thesis is the development of a new multi-level system which can serve as a complete and integrative platform for facilitating the various analysis, simulation, and modification operations on the complex-structured 3D city models based on CityGML and 3DCityDB. It introduces an additional application level based on a so-called ‘app-concept’ that allows for constructing a light-weight web application to reach a good balance between the high data model complexity and the specific application requirements of the end users. Each application can be easily built on top of a developed 3D web client whose functionalities go beyond the efficient 3D geo-visualization and interactive exploration, and also allows for performing collaborative modifications and analysis of 3D city models by taking advantage of the Cloud Computing technology. This multi-level system along with the extended 3DCityDB have been successfully utilized and evaluated by many practical projects.Fachlich erweiterbare semantische 3D-Stadtmodelle sind komplexe Abbildungen und Datenbestände der städtischen Umgebung, die als ein integratives Informationsrückgrat genutzt werden können, um eine Reihe von Anwendungsfeldern wie z. B. Stadtplanung, Umweltsimulationen, Katastrophenmanagement und Energiebewertung zu ermöglichen. Heute schaffen immer mehr Länder und Städte weltweit ihre eigenen 3D-Stadtmodelle auf Basis des internationalen Standards CityGML des Open Geospatial Consortium (OGC), um ein offenes Datenmodell und ein XML-basiertes Format zur Beschreibung der relevanten Stadtobjekte in Bezug auf ihre 3D-Geometrien, Topologien, Semantik und Erscheinungen zur Verfügung zu stellen. Es bietet insbesondere einen flexiblen und systematischen Erweiterungsmechanismus namens „Application Domain Extension“ (ADE), der es Dritten ermöglicht, die bestehenden CityGML-Definitionen mit zusätzlichen Informationsmodellen aus verschiedenen Anwendungsdomänen dynamisch zu erweitern, um die erweiterten oder neu eingeführten Stadtobjekt-Typen innerhalb eines gemeinsamen Framework zu repräsentieren. Aufgrund der konsequent großen Datenmenge und hohen Modellkomplexität bei der praktischen Nutzung der landesweiten CityGML-Datensätze wurden jedoch enorme Anforderungen an den Aufbau eines umfangreichen Anwendungssystems zur Unterstützung der effizienten Speicherung, Analyse, Verwaltung, Interaktion und Visualisierung der Daten gestellt. Die bestehende kostenlose 3D-Geodatenbank-Lösung „3D City Database“ (3DCityDB) entsprach bereits teilweise diesen Anforderungen, indem sie zwar eine umfangreiche Funktionalität für den Umgang mit den Standard-CityGML-Datenmodellen, jedoch keine Unterstützung für CityGML-ADEs bietet. Die Schlüsselmotivation für diese Arbeit ist es, einen zuverlässigen Ansatz zur Erweiterung der bestehenden Datenbanklösung zu entwickeln, um das effiziente Management, die Visualisierung und Interaktion großer Datensätze beliebiger CityGML-ADEs zu unterstützen. Der Schwerpunkt liegt zunächst auf der Beantwortung der Schlüsselfrage, wie man das relationale Datenbankschema dynamisch erweitern kann, indem die XML-Schemadateien der ADE analysiert und interpretiert und anschließend dem entsprechende neue Datenbanktabellen erzeugt werden. Auf Grundlage einer umfassenden Studie verwandter Arbeiten wurde ein neues graphbasiertes Framework entwickelt, das die typisierten und attributierten Graphen zur semantischen Darstellung der objektorientierten Datenmodelle von CityGML-ADEs verwendet und anschließend Graphersetzungssysteme nutzt, um eine kompakte Tabellenstruktur zur Erweiterung der 3DCityDB zu generieren. Der Transformationsprozess wird durch die Anwendung einer Reihe feingranularer Graphersetzungsregeln durchgeführt, die es Benutzern ermöglicht, die komplexen Mapping-Regeln einschließlich der Optimierungskonzepte aus der Entwicklung des 3DCityDB-Datenbankschemas deklarativ zu formalisieren. Der zweite wesentliche Beitrag dieser Arbeit ist die Entwicklung eines neuen mehrstufigen Systemkonzepts, das auf CityGML und 3DCityDB basiert und gleichzeitig als eine komplette und integrative Plattform zur Erleichterung der Analyse, Simulationen und Modifikationen der komplex strukturierten 3D-Stadtmodelle dienen kann. Das Systemkonzept enthält eine zusätzliche Anwendungsebene, die auf einem sogenannten „App-Konzept“ basiert, das es ermöglicht, eine leichtgewichtige Applikation bereitzustellen, die eine gute Balance zwischen der hohen Modellkomplexität und den spezifischen Anwendungsanforderungen der Endbenutzer erreicht. Jede Applikation lässt sich ganz einfach mittels eines bereits entwickelten 3D-Webclients aufbauen, dessen Funktionalitäten über die effiziente 3D-Geo-Visualisierung und interaktive Exploration hinausgehen und auch die Durchführung kollaborativer Modifikationen und Analysen von 3D-Stadtmodellen mit Hilfe von der Cloud-Computing-Technologie ermöglichen. Dieses mehrstufige System zusammen mit dem erweiterten 3DCityDB wurde erfolgreich in vielen praktischen Projekten genutzt und bewertet

A virtual environment to support the distributed design of large made-to-order products

An overview of a virtual design environment (virtual platform) developed as part of the European Commission funded VRShips-ROPAX (VRS) project is presented. The main objectives for the development of the virtual platform are described, followed by the discussion of the techniques chosen to address the objectives, and finally a description of a use-case for the platform. Whilst the focus of the VRS virtual platform was to facilitate the design of ROPAX (roll-on passengers and cargo) vessels, the components within the platform are entirely generic and may be applied to the distributed design of any type of vessel, or other complex made-to-order products

Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials

Quantum ESPRESSO is an integrated suite of computer codes for electronic-structure calculations and materials modeling, based on density-functional theory, plane waves, and pseudopotentials (norm-conserving, ultrasoft, and projector-augmented wave). Quantum ESPRESSO stands for "opEn Source Package for Research in Electronic Structure, Simulation, and Optimization". It is freely available to researchers around the world under the terms of the GNU General Public License. Quantum ESPRESSO builds upon newly-restructured electronic-structure codes that have been developed and tested by some of the original authors of novel electronic-structure algorithms and applied in the last twenty years by some of the leading materials modeling groups worldwide. Innovation and efficiency are still its main focus, with special attention paid to massively-parallel architectures, and a great effort being devoted to user friendliness. Quantum ESPRESSO is evolving towards a distribution of independent and inter-operable codes in the spirit of an open-source project, where researchers active in the field of electronic-structure calculations are encouraged to participate in the project by contributing their own codes or by implementing their own ideas into existing codes.Comment: 36 pages, 5 figures, resubmitted to J.Phys.: Condens. Matte

Scientific Workflows for Metabolic Flux Analysis

Metabolic engineering is a highly interdisciplinary research domain that interfaces biology, mathematics, computer science, and engineering. Metabolic flux analysis with carbon tracer experiments (13 C-MFA) is a particularly challenging metabolic engineering application that consists of several tightly interwoven building blocks such as modeling, simulation, and experimental design. While several general-purpose workflow solutions have emerged in recent years to support the realization of complex scientific applications, the transferability of these approaches are only partially applicable to 13C-MFA workflows. While problems in other research fields (e.g., bioinformatics) are primarily centered around scientific data processing, 13C-MFA workflows have more in common with business workflows. For instance, many bioinformatics workflows are designed to identify, compare, and annotate genomic sequences by "pipelining" them through standard tools like BLAST. Typically, the next workflow task in the pipeline can be automatically determined by the outcome of the previous step. Five computational challenges have been identified in the endeavor of conducting 13 C-MFA studies: organization of heterogeneous data, standardization of processes and the unification of tools and data, interactive workflow steering, distributed computing, and service orientation. The outcome of this thesis is a scientific workflow framework (SWF) that is custom-tailored for the specific requirements of 13 C-MFA applications. The proposed approach – namely, designing the SWF as a collection of loosely-coupled modules that are glued together with web services – alleviates the realization of 13C-MFA workflows by offering several features. By design, existing tools are integrated into the SWF using web service interfaces and foreign programming language bindings (e.g., Java or Python). Although the attributes "easy-to-use" and "general-purpose" are rarely associated with distributed computing software, the presented use cases show that the proposed Hadoop MapReduce framework eases the deployment of computationally demanding simulations on cloud and cluster computing resources. An important building block for allowing interactive researcher-driven workflows is the ability to track all data that is needed to understand and reproduce a workflow. The standardization of 13 C-MFA studies using a folder structure template and the corresponding services and web interfaces improves the exchange of information for a group of researchers. Finally, several auxiliary tools are developed in the course of this work to complement the SWF modules, i.e., ranging from simple helper scripts to visualization or data conversion programs. This solution distinguishes itself from other scientific workflow approaches by offering a system of loosely-coupled components that are flexibly arranged to match the typical requirements in the metabolic engineering domain. Being a modern and service-oriented software framework, new applications are easily composed by reusing existing components