Videos by Georg J. Schmitz
Presentation (in German) with slides (in English):
Stichworte:
• Ziele und Möglichkeiten von ... more Presentation (in German) with slides (in English):
Stichworte:
• Ziele und Möglichkeiten von ICME
• von Thermodynamik zu Computational Thermodynamics
• von der Materialkunde zur Materialwissenschaft: Gefügeevolution
• Gefügestrukturen und effektive Werkstoffeigenschaften
• Simulationsketten und Simulationsplattformen
Kurzfassung:
Ein „historischer“ Rückblick auf erste Nutzungen von Computern in den Materialwissenschaften führt über die „Computational Thermodynamics“ zur CALPHAD Methodik und weiter zu ortsaufgelösten Simulationen der Gefügebildung mit der Multi-Phasen-Feld-Methodik. Die Bestimmung effektiver Werkstoffeigenschaften mittels mathematischer Homogenisierung und virtueller Test sowie erste Simulationsketten auf Simulationsplattformen beenden die Zeitreise. 4 views
Presentation (German) with slides (in English)
• Datenstandards, Metadaten und Datenstrukturen
... more Presentation (German) with slides (in English)
• Datenstandards, Metadaten und Datenstrukturen
• semantische Interoperabilität und Ontologien
• Integration von Simulation und Experiment
• Integration elektronischer/atomistischer und mesoskopischer Modelle
• Cross-domain Simulationsketten und Metaplattformen
• automatisierte Workflows und High-Throughput Simulationen
• Einbindung und Nutzung von KI Methoden in ICME Konzepte
Die „Interoperabilität“ zwischen verschiedenen Simulationstools, zwischen Experiment und Simulation, zwischen Mensch und Computer, zwischen verschiedenen Wissens- und Erfahrungsdomänen erfordert eine „gemeinsame Sprache“, welche sowohl von Maschinen als auch von Menschen verstanden wird. Aufbauend auf einer kurzen Einführung in das semantische Spektrum (Symbol, Keyword, Thesaurus, Taxonomie, Syntax, Semantik, Ontologie) wird die EMMO eingeführt, welche die Grundlage für Interoperabilität auf domänenübergreifenden Simulationsplattformen ermöglicht. 3 views
Hands-on type training of Integrated Computational Materials Engineering (ICME) is characterized ... more Hands-on type training of Integrated Computational Materials Engineering (ICME) is characterized by assisted application and combination of multiple simulation software tools and data. In this talk, we present recent experiences in establishing a cloud-based infrastructure to enable remote use of dedicated commercial and open access simulation tools during an interactive online training event. In the first part, we summarize the hardware and software requirements and illustrate how these have been met using cloud hardware services, a simulation platform environment, a suitable communication channel, common workspaces and more. The second part of the talk focuses (i) on the requirements for suitable online hands-on training material and (ii) on details of some of the approaches taken. Eventually, the practical experiences made during three consecutive online training courses held in September 2020 with 35 nominal participants each, are discussed in detail. 6 views
One of the current challenges relates to the organization of data and extraction of knowledge fro... more One of the current challenges relates to the organization of data and extraction of knowledge from huge amounts of unstructured data. Another challenge relates to achieving semantic interoperability between (a) a variety of physical facilities such as characterization and manufacturing facilities (in the sense of Industry 4.0), and (b) the huge number of physics, computational, and materials models providing a representation of the material world. A viable path to face these challenges is a widely agreed scheme including terminology, classification and relations, in other words, an ontology. To illustrate the core principles and benefits of an ontological description in an intuitive way, an ontology describing processing of a pizza will be demonstrated. 35 views
Application of ontologies in industrial settings requires fundamental philosophical concepts to b... more Application of ontologies in industrial settings requires fundamental philosophical concepts to be exposed to harsh environments of industrial production. Such applications in fact can be attained when harnessing the foundational core ontology by suitable domain ontologies.
This first part of the presentation will introduce the basic philosophical concepts underlying the European Materials & Modelling Ontology „EMMO“ by climbing the semantic spectrum starting from the notion of contrast and reaching up to epistemology. The fundamental relations between different classes like isA, hasPart, isConnected and isSignFor arising from the philosophical concepts of Taxonomy, Mereology & Mereotopology and Semiosis will be introduced. The first part will be concluded with an overview of currently available EMMO domain ontologies at the mid-level. 35 views
A microstructure simulation workflow adaptable to different metallic systems and process conditio... more A microstructure simulation workflow adaptable to different metallic systems and process conditions is presented. It is implemented as a flow chart which is controlled through a Jupyter notebook invoking software modules of different classes: “Creators” serve to generate an initial virtual material state. “Evolvers” advance this state according to process conditions. “Extractors” calculate properties from a state, while not altering it. “Controllers” steer the overall workflow. The material state itself is stored in a HDF5 file being consecutively updated with new data throughout the workflow process eventually leading to a full description of a microstructure at given conditions. The operator defines the simulation domain and the alloy filling the domain. The system then calculates the phases to be expected and the phase fractions and compositions at given conditions. Eventually a 3D single- or multiphase microstructure is synthesized matching these values. 11 views
Modern materials development challenges require a modular, configurable system of numerous models... more Modern materials development challenges require a modular, configurable system of numerous models and simulation tools being available in the area of Integrated Computational Materials Engineering (ICME) and further need a framework allowing orchestrating workflows in such multi-model simulation scenarios.
One of the major prerequisites for the combination of different tools relates to a standardized nomenclature and an information exchange ecosystem. The European Materials & Modelling Ontology “EMMO” aiming at facilitating information exchange and interoperability between a variety of models and software tools in the area of electronic, atomistic, mesoscopic and continuum descriptions of materials, will shortly be introduced.
A HDF5 type description of materials allows both a statistical and a spatially resolved description of microstructure data. Automatic workflows then can be performed on simulation platforms like the AixViPMaP 19 views
Following a short overview of some available open simulation platforms, the motivation and benefi... more Following a short overview of some available open simulation platforms, the motivation and benefits for the development of such platforms is highlighted. The major applications of such simulation platforms currently are in the area of Integrated Computational Materials Engineering “ICME”, which by its name and by its nature draws on modular, configurable combination of a variety of commercial and academic software tools. In a further section the concepts underlying the AixViPMaP [1] and some examplaric workflows are presented. Some already existing preconfigured workflows are shown and an outlook on more complex workflows to be realized in future is given. The presentation concludes by some considerations about information and data exchange standards being based on ontologies and highlights some benefits of linking electronic/atomistic models with continuum models of both microstructures and components. 62 views
The video provides a short overview about MICRESS - the MICRostructure Evolution Simulation Softw... more The video provides a short overview about MICRESS - the MICRostructure Evolution Simulation Software, and its historic development and examples for current applications of the tool in various processes of metals and alloys liek casting, solidification, additive manufacturing , heat treatments, joining and welding and more. 8 views
Application of ontologies in industrial settings requires fundamental philosophical concepts to b... more Application of ontologies in industrial settings requires fundamental philosophical concepts to be exposed to harsh environments of industrial production. Such applications in fact can be attained when harnessing the foundational core ontology by suitable domain ontologies.
The second part of the presentation will introduce current efforts to structure the domain of “Industry 4.0” and to identify the required domain ontologies. Such domain ontologies have to match the language of industrial production. In detail already existing domain ontologies for ManufacturingProcesses, for ProductionSystems, for ContinuumMaterials, for ModellingSoftware will be presented. Emerging domain ontologies for SensorSystems, ActuatorSystems, DataStreams and DigitalShadows will be introduced. Especially procedures to integrate such domain ontologies into the EMMO framework will shortly be explained. The presentation will conclude with an outlook on developments likely to happen in future. 15 views
Papers by Georg J. Schmitz
Mater. Res. Soc. Symp. Proc., 2011
ABSTRACTAl-rich Ti-Al alloys attracted some attention during the past years due to the possibilit... more ABSTRACTAl-rich Ti-Al alloys attracted some attention during the past years due to the possibility of their application as light-weight, high-performance materials at elevated temperatures. The effect of the addition of Nb to Al-rich Ti-Al alloys has been studied for Ti36 Al62 Nb2 by a combined approach of transmission electron microscopy (TEM) techniques for unraveling the structure and composition at the nanoscale. Structural analyses on as-cast ternary alloys revealed the presence of h-TiAl2-, Ti3Al5- and γ-TiAl-type phases. After heat treatment, phase transformations like the replacement of the metastable h-TiAl2-type by the stable r-TiAl2-type were identified. Additionally, changes of the microstructural features like the formation of interfaces with different orientation relationships are apparent. The orientation and interfacial relationships involved are compared to those of binary Ti-Al alloys rich in Al.
Proceedings of the 3rd World Congress on Integrated Computational Materials Engineering (ICME 2015), 2015
The importance of microstructure simulations in ICME settings is discussed with respect to their ... more The importance of microstructure simulations in ICME settings is discussed with respect to their added value provided to macroscopic process simulations and their contribution to the prediction of materials properties. Their role in integrating the scales from component/process scale down to atomistic scales and also in integrating the experimental and virtual worlds will be highlighted. Practical implications for coupling a heterogeneous variety of codes and tools to microstructure simulations will be discussed using the example of the commercial multi-phase-field software MICRESS®. The paper concludes with some conceptual thoughts about a future standardized format for the description of digital microstructures.
Integrating Materials and Manufacturing Innovation, 2018
A virtual process chain for diffusion brazing of Ni-based superalloys is presented for the exampl... more A virtual process chain for diffusion brazing of Ni-based superalloys is presented for the example of Alloy 247. Besides phasefield simulation of different brazing processes, the chain includes solidification with equiaxed and columnar microstructures, heat treatment processes, and annealing and rafting of γ'-precipitates in 3D, as well as conversion of the resulting microstructures into finite element meshes for further evaluation of their properties by FE approaches. The challenges of setting-up a seamless simulation chain are discussed, and the importance of a correct and comprehensive handling of the relevant microstructural quantities is highlighted. Special focus is given to the initial specification and the further evolution of segregation patterns of the different alloying elements in this complex alloy system. The data describing these patterns may originate from experiments or may be generated by prior simulation runs. The description of phase transformations like melting, solidification, or precipitation further requires the simulation of diffusion of numerous chemical elements and their redistribution between existing and newly forming phases. Such multicomponent systems thus require thermodynamic and mobility data which typically are provided by Calphad-type computational tools and databases.
IOP Conference Series: Materials Science and Engineering, 2016
Solidification during casting processes marks the starting point of the history of almost any com... more Solidification during casting processes marks the starting point of the history of almost any component or product. Integrated Computational Materials Engineering (ICME) [1-4] recognizes the importance of further tracking the history of microstructure evolution along the subsequent process chain. Solidification during joining processes in general happens quite late during production, where the parts to be joined already have experienced a number of processing steps which affected their microstructure. Reliable modelling of melting and dissolution of these microstructures represents a key issue before eventually modelling 're'-solidification e.g. during welding or soldering. Some instructive examples of microstructure evolution during a joining process obtained on the basis of synthetic and simulated initial microstructures of an Al-Cu binary model system are discussed.
JOM, 2015
The importance of microstructure simulation in integrated computational materials engineering set... more The importance of microstructure simulation in integrated computational materials engineering settings in relation to the added value provided for macroscopic process simulation, as well as the contribution this kind of simulation can make in predicting material properties, are discussed. The roles of microstructure simulation in integrating scales ranging from component/process scales down to atomistic scales, and also in integrating experimental and virtual worlds, are highlighted. The hierarchical data format (HDF5) as a basis for enhancing the interoperability of the heterogeneous range of simulation tools and experimental datasets in the area of computational materials engineering is discussed. Several ongoing developments indicate that HDF5 might evolve into a de facto standard for digital microstructure representation of all length scales.
Superconductor Science and Technology, 1998
Investigations of superconductive joints were performed using an infiltration technique. Gaps bet... more Investigations of superconductive joints were performed using an infiltration technique. Gaps between two domains of 0953-2048/11/1/015/img2 were prepared mechanically and subsequently filled with 0953-2048/11/1/015/img3 powder. Barium cuprate liquid prepared by the peritectic decomposition of 0953-2048/11/1/015/img4 was infiltrated into the gap between the two 0953-2048/11/1/015/img2 domains. Microstructural analysis indicates a local epitaxy of the solder.
Integrating Materials and Manufacturing Innovation, 2017
Microstructures represent the key to interoperability between continuum models operating at the p... more Microstructures represent the key to interoperability between continuum models operating at the process scale and discrete models and tools describing atoms/electrons. They also provide the link between experimental materials characterisation and the virtual world. The present paper introduces a microstructure state as the central information providing the link across different length scales and along the temporal evolution of a component. Different ways of generating and representing the microstructure state are categorized and related to different classes of models acting on that state. A pragmatic way of digitally storing the microstructure state being based on the hierarchical data format HDF5 is proposed.
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Videos by Georg J. Schmitz
Stichworte:
• Ziele und Möglichkeiten von ICME
• von Thermodynamik zu Computational Thermodynamics
• von der Materialkunde zur Materialwissenschaft: Gefügeevolution
• Gefügestrukturen und effektive Werkstoffeigenschaften
• Simulationsketten und Simulationsplattformen
Kurzfassung:
Ein „historischer“ Rückblick auf erste Nutzungen von Computern in den Materialwissenschaften führt über die „Computational Thermodynamics“ zur CALPHAD Methodik und weiter zu ortsaufgelösten Simulationen der Gefügebildung mit der Multi-Phasen-Feld-Methodik. Die Bestimmung effektiver Werkstoffeigenschaften mittels mathematischer Homogenisierung und virtueller Test sowie erste Simulationsketten auf Simulationsplattformen beenden die Zeitreise.
• Datenstandards, Metadaten und Datenstrukturen
• semantische Interoperabilität und Ontologien
• Integration von Simulation und Experiment
• Integration elektronischer/atomistischer und mesoskopischer Modelle
• Cross-domain Simulationsketten und Metaplattformen
• automatisierte Workflows und High-Throughput Simulationen
• Einbindung und Nutzung von KI Methoden in ICME Konzepte
Die „Interoperabilität“ zwischen verschiedenen Simulationstools, zwischen Experiment und Simulation, zwischen Mensch und Computer, zwischen verschiedenen Wissens- und Erfahrungsdomänen erfordert eine „gemeinsame Sprache“, welche sowohl von Maschinen als auch von Menschen verstanden wird. Aufbauend auf einer kurzen Einführung in das semantische Spektrum (Symbol, Keyword, Thesaurus, Taxonomie, Syntax, Semantik, Ontologie) wird die EMMO eingeführt, welche die Grundlage für Interoperabilität auf domänenübergreifenden Simulationsplattformen ermöglicht.
This first part of the presentation will introduce the basic philosophical concepts underlying the European Materials & Modelling Ontology „EMMO“ by climbing the semantic spectrum starting from the notion of contrast and reaching up to epistemology. The fundamental relations between different classes like isA, hasPart, isConnected and isSignFor arising from the philosophical concepts of Taxonomy, Mereology & Mereotopology and Semiosis will be introduced. The first part will be concluded with an overview of currently available EMMO domain ontologies at the mid-level.
One of the major prerequisites for the combination of different tools relates to a standardized nomenclature and an information exchange ecosystem. The European Materials & Modelling Ontology “EMMO” aiming at facilitating information exchange and interoperability between a variety of models and software tools in the area of electronic, atomistic, mesoscopic and continuum descriptions of materials, will shortly be introduced.
A HDF5 type description of materials allows both a statistical and a spatially resolved description of microstructure data. Automatic workflows then can be performed on simulation platforms like the AixViPMaP
The second part of the presentation will introduce current efforts to structure the domain of “Industry 4.0” and to identify the required domain ontologies. Such domain ontologies have to match the language of industrial production. In detail already existing domain ontologies for ManufacturingProcesses, for ProductionSystems, for ContinuumMaterials, for ModellingSoftware will be presented. Emerging domain ontologies for SensorSystems, ActuatorSystems, DataStreams and DigitalShadows will be introduced. Especially procedures to integrate such domain ontologies into the EMMO framework will shortly be explained. The presentation will conclude with an outlook on developments likely to happen in future.
Papers by Georg J. Schmitz
Stichworte:
• Ziele und Möglichkeiten von ICME
• von Thermodynamik zu Computational Thermodynamics
• von der Materialkunde zur Materialwissenschaft: Gefügeevolution
• Gefügestrukturen und effektive Werkstoffeigenschaften
• Simulationsketten und Simulationsplattformen
Kurzfassung:
Ein „historischer“ Rückblick auf erste Nutzungen von Computern in den Materialwissenschaften führt über die „Computational Thermodynamics“ zur CALPHAD Methodik und weiter zu ortsaufgelösten Simulationen der Gefügebildung mit der Multi-Phasen-Feld-Methodik. Die Bestimmung effektiver Werkstoffeigenschaften mittels mathematischer Homogenisierung und virtueller Test sowie erste Simulationsketten auf Simulationsplattformen beenden die Zeitreise.
• Datenstandards, Metadaten und Datenstrukturen
• semantische Interoperabilität und Ontologien
• Integration von Simulation und Experiment
• Integration elektronischer/atomistischer und mesoskopischer Modelle
• Cross-domain Simulationsketten und Metaplattformen
• automatisierte Workflows und High-Throughput Simulationen
• Einbindung und Nutzung von KI Methoden in ICME Konzepte
Die „Interoperabilität“ zwischen verschiedenen Simulationstools, zwischen Experiment und Simulation, zwischen Mensch und Computer, zwischen verschiedenen Wissens- und Erfahrungsdomänen erfordert eine „gemeinsame Sprache“, welche sowohl von Maschinen als auch von Menschen verstanden wird. Aufbauend auf einer kurzen Einführung in das semantische Spektrum (Symbol, Keyword, Thesaurus, Taxonomie, Syntax, Semantik, Ontologie) wird die EMMO eingeführt, welche die Grundlage für Interoperabilität auf domänenübergreifenden Simulationsplattformen ermöglicht.
This first part of the presentation will introduce the basic philosophical concepts underlying the European Materials & Modelling Ontology „EMMO“ by climbing the semantic spectrum starting from the notion of contrast and reaching up to epistemology. The fundamental relations between different classes like isA, hasPart, isConnected and isSignFor arising from the philosophical concepts of Taxonomy, Mereology & Mereotopology and Semiosis will be introduced. The first part will be concluded with an overview of currently available EMMO domain ontologies at the mid-level.
One of the major prerequisites for the combination of different tools relates to a standardized nomenclature and an information exchange ecosystem. The European Materials & Modelling Ontology “EMMO” aiming at facilitating information exchange and interoperability between a variety of models and software tools in the area of electronic, atomistic, mesoscopic and continuum descriptions of materials, will shortly be introduced.
A HDF5 type description of materials allows both a statistical and a spatially resolved description of microstructure data. Automatic workflows then can be performed on simulation platforms like the AixViPMaP
The second part of the presentation will introduce current efforts to structure the domain of “Industry 4.0” and to identify the required domain ontologies. Such domain ontologies have to match the language of industrial production. In detail already existing domain ontologies for ManufacturingProcesses, for ProductionSystems, for ContinuumMaterials, for ModellingSoftware will be presented. Emerging domain ontologies for SensorSystems, ActuatorSystems, DataStreams and DigitalShadows will be introduced. Especially procedures to integrate such domain ontologies into the EMMO framework will shortly be explained. The presentation will conclude with an outlook on developments likely to happen in future.