TY - CONF A1 - Schilling, Markus T1 - Digital Transformation in Materials Science through Semantic Technologies and Knowledge Graphs N2 - The field of materials science is undergoing a transformative shift driven by digitalization. In this respect, semantic and AI technologies are paving the way for advancements in materials development, design, and optimization while leaping towards an Industry 4.0 environment. Addressing the dual challenges of quality assurance and data interoperability, this presentation examines the integration of semantic technologies and knowledge representation methods. By adhering to FAIR principles, this approach enhances data management, storage, and reuse. That way, both machine-actionable and human-understandable data structures crucial for digital research environments are fostered. This presentation focuses on the ‘platform MaterialDigital’ (PMD) initiative, which aims to support efforts from both industrial and academic sectors to solve digitalization challenges and implement sustainable digital solutions. Besides establishing structures to create virtual material data spaces, PMD develops solutions for systematizing and unifying the handling of hierarchical, process-dependent material data. Semantic technologies play a crucial role in digitalization efforts as they enable the storage, processing, and querying of data in a contextualized form. Therefore, the development and prototypical application of the PMD Core Ontology 3.0 (PMDco 3.0) tailored for materials science is highlighted. This includes the design and documentation of graph patterns that may be compiled into rule-based semantic shapes. Its integration into daily lab life is demonstrated through its application to electronic lab notebooks (ELN). This illustrates potentials of standardized protocols and automation-ready solutions for managing diverse experimental data across different sources. Outlining best practices and illustrating the possibilities that semantic technologies bring to modern labs, examples from materials processing and mechanical testing will underscore how knowledge graphs bridge the gap between data and decision-making in materials science, with potential for increased productivity and streamlined workflows across the field. T2 - Materials Week 2025 CY - Frankfurt am Main, Germany DA - 03.04.2025 KW - Semantic Data KW - Data Integration KW - Digitalization KW - Data Interoperability KW - PMD Core Ontology PY - 2025 AN - OPUS4-62866 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Siefke, Lennart A1 - Linden, Anna T1 - Towards a robust automated surface inspection method for CT-scanned cannulas N2 - For certain cardiovascular diseases, cannulas are implanted into the blood circuit. To match the patients individual anatomy of the heart, there is research for cannulas to be custom-designed and manufactured aided by 3D printing. However, cannulas have to hold very high standards with regard to the smoothness of their surfaces, as rough patches can lead to formation of blood clots. Therefore, this work uses computer vision to detect such patches as part of quality assurance. First, the produced cannula is scanned using a precise CT scanner and transformed into a 3D mesh object. Rough patches in an otherwise smooth but curved surface are detected by using cosine similarity between neighboring faces and a statistical evaluation. In the end, this method is able to raise a warning when curved surfaces are not smooth enough and visualizes the problematic patches. However, there is just limited access to test data currently and the scanner used needs to be upgraded. T2 - 3D in Science & Applications (3D-iSA) 2024 CY - Berlin, Germany DA - 26.11.2024 KW - Algorithm KW - Additive manufacturing KW - Surface evaluation PY - 2025 UR - https://www.gfai.de SN - 978-3-942709-34-7 SP - 66 EP - 70 AN - OPUS4-63057 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Rosenbusch, Sjard Mathis A1 - Diercks, Philipp A1 - Kindrachuk, Vitaliy A1 - Unger, Jörg F. T1 - Integrating custom constitutive models into FEniCSx: A versatile approach and case studies N2 - The development and integration of user-defined constitutive relationships into finite element (FE) tools using standardized interfaces play a pivotal role in advancing the capabilities of FE solvers for structural mechanics applications. While commercial FE solvers like Abaqus and Ansys have designed their interfaces to provide custom stresses, tangents, and updated history variables, the open-source solver FEniCSx remains efficient only when the constitutive update has an analytical representation. This restricts the application of FEniCSx for non-linear structural mechanics. Since FEniCSx has become a powerful and popular open-source tool for solving partial differential equations, particularly due to its automatic computation of Hessians, we aim to develop a generalized interface to enhance its capability for constitutive modeling. This approach will address complex constitutive equations that require iterative solutions at the quadrature point level. Specific implementation challenges, such as using return-mapping procedures, can then be managed commonly. The provided interface for custom constitutive models offers a versatile way to implement them in various languages, including C++, Python, Rust, and Fortran. Finally, with UMATs for viscoplastic models as an example, we demonstrate how existing user subroutines can be incorporated into the interface and utilized within the FEniCSx framework. KW - Finite element method KW - Constitutive models KW - FEniCSx KW - UMAT KW - Rust KW - Python KW - C++ PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-630439 DO - https://doi.org/10.1016/j.advengsoft.2025.103922 SN - 0965-9978 VL - 206 SP - 1 EP - 11 PB - Elsevier CY - Amsterdam AN - OPUS4-63043 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Rodricks, Carol T1 - Advancing Sustainable Composites: Challenges and innovations N2 - With the increased use of carbon fibre polymer matrix composites comes the important question of their management at the end of their life cycle. Given the high costs associated with carbon fibre production, recycling carbon fibres from composite waste is a desirable source of reinforcing fibres for new applications. However, current recycling methods result in recycled carbon fibres that are short with little to no orientation which can only be used in applications requiring intermediate strength at a fraction of the potential of the continuous, aligned virgin fibres. Thus, a method to recycle fibres with their original length and orientation intact is vital to truly realising a circular economy for carbon fibre polymer composites. Our research introduces a novel hierarchical composite aimed at preserving the length and orientation of carbon fibres on recycling. Virgin carbon fibres are encapsulated in an insoluble epoxy matrix to form tapes that serve as the primary units of the hierarchical structure. The primary epoxy matrix protects the fibres from chemical and environmental elements while maintaining their permanent orientation. The primary tape units are subsequently embedded in a secondary recyclable matrix polymer to make larger composite structures. Elium, a thermoplastic that dissolves in acetone and has mechanical properties comparable to epoxy, was chosen as the secondary matrix of choice in this study. This approach aims to achieve a composite that is mechanical equivalent to thermoset composites while facilitating easy recycling with minimal impact on the fibres in the primary unit. T2 - Materials Week 2025 CY - Frankfurt am Main, Germany DA - 02.04.25 KW - Recycling KW - Carbon fibres KW - Mechanical testing KW - Polymer-matrix composites (PMCs), micromechanics KW - Elium PY - 2025 AN - OPUS4-63004 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Rosenbusch, Sjard Mathis A1 - Diercks, Philipp A1 - Kindrachuk, Vitaliy A1 - Unger, Jörg F. T1 - Integrating custom constitutive models into FEniCSx: A versatile approach and case studies N2 - The development and integration of user-defined constitutive relationships into finite element (FE) tools using standardized interfaces play a pivotal role in advancing the capabilities of FE solvers for structural mechanics applications. While commercial FE solvers like Abaqus and Ansys have designed their interfaces to provide custom stresses, tangents, and updated history variables, the open-source solver FEniCSx remains efficient only when the constitutive update has an analytical representation. This restricts the application of FEniCSx for non-linear structural mechanics. Since FEniCSx has become a powerful and popular open-source tool for solving partial differential equations, particularly due to its automatic computation of Hessians, we aim to develop a generalized interface to enhance its capability for constitutive modeling. This approach will address complex constitutive equations that require iterative solutions at the quadrature point level. Specific implementation challenges, such as using return-mapping procedures, can then be managed commonly. The provided interface for custom constitutive models offers a versatile way to implement them in various languages, including C++, Python, Rust, and Fortran. Finally, using the example of UMATs for viscoplastic models, we demonstrate how available user subroutines can be incorporated into the interface while maintaining computational performance of FEniCSx comparable to that of Abaqus. KW - Finite element method KW - Constitutive models KW - FEniCSx KW - UMAT KW - Rust KW - Python KW - C++ PY - 2024 DO - https://doi.org/10.5281/zenodo.13980988 PB - Zenodo CY - Geneva AN - OPUS4-62112 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Pfennig, A. A1 - Simkin, Roman T1 - Identifying the initial corrosion fatigue failure based on dropping electrochemical potential N2 - The corrosion fatigue of duplex stainless-steel X2CrNiMoN22-5-3 can be determined by purely alternating axial cyclic load to failure using hour-glass shaped specimens. The experimental setup comprises a corrosion chamber allowing for the circulation of an aquifer electrolyte heated to 369 K simulating a carbon capture and storage as well as geothermal power plant environment. During engineering of a carbon storage site or geothermal power plant, it may be crucial to determine the failure onset of a component beforehand. Therefore, an algorithm with 93.3% reliability was established based on splitting the measured potential values into ten time series with a capacity of ten values. The failure of corrosion fatigue specimens in a geothermal environment correlates to the drop of the curves of the electrochemical potential which is measured simultaneously within the corrosion chamber. Crack initiation was, therefore, successfully derived from the electrochemical potential. KW - Corrosion fatigue KW - Surface corrosion KW - CO2 KW - Crack initiation KW - Geothermal energy production PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-629310 DO - https://doi.org/10.3390/app15010403 SN - 2076-3417 VL - 15 IS - 1 SP - 1 EP - 15 PB - MDPI CY - Basel AN - OPUS4-62931 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Trappe, Volker T1 - Betriebsfestigkeit von Struktur-Klebungen im Anwendungsgebiet der CS22 N2 - Moderne Segelflugzeuge sind voll-verklebte tragende FKV-Strukturen. Über die Schwingfestigkeit der Faser-Kunststoff-Verbunde (FKV) und die Lebensdauerabschätzung dieser Werkstoffklasse auf Basis verschiedener Lastspektren wurden insbesondere von Christoph Kensche verschiedenen Arbeiten durchgeführt und auch auf dem Symposium für Segelflugzeugentwicklung vorgestellt. Hingegen ist die Betriebsfestigkeit von Struktur-Klebungen im Anwendungsbereich der CS22 vergleichsweise wenig untersucht worden. Über die Jahre wurden in verschiedenen Projekten immer wieder Probleme in Struktur-Klebungen (u.a. Betriebsbelastungsversuche an Versuchs-Holmen) identifiziert, analysiert und spezielle Prüfverfahren weiter entwickelt (Projekt „Tragflügel neuer Technologie für die allgemeine Luftfahrt“, FK SIF765). Im Rahmen des LuFo-Vorhabens GeAviBoo (General Aviation Booster) wurde in zwei Arbeitspaketen das Thema erneut aufgegriffen und Betriebsbelastungsversuche an Klebproben durchgeführt. Im Rahmen des Vortrages werden die Erkenntnisse der letzten 10 Jahre aufbereitet und die neusten Ergebnisse vorgestellt. T2 - Symposium für Segelflugzeugentwicklung CY - Online meeting DA - 19.11.2020 KW - Polymer Matrix Composites KW - Betriebsfestigkeit KW - Klebung KW - General Aviation PY - 2020 AN - OPUS4-51861 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Werner, Tiago T1 - Short fatigue crack propagation in L-PBF 316L stainless steel N2 - Fracture mechanics is a key to fatigue assessment in AM metal components. Short fatigue cracks are initiated at defects and pronounced surface roughness intrinsic to AM. The subsequent crack-propagation is strongly influenced by microstructural interactions and the build-up of crack-closure. The aim of the present study is to give an insight into short-crack propagation in AM-metals. Fatigue crack propagation resistance curves were determined experimentally for AISI 316L manufactured by Laser Powder Bed Fusion (L-PBF) which was heat treated at three different temperatures. Differences in the build-up of the fatigue-crack propagation threshold in between the L-PBF specimens and compared to wrought material are due to the residual stress states, a pronounced roughness of the crack-faces in the L-PBF specimens and phase transformation in the vicinity of the crack-tip, resulting in increased crack-closure. This, together with crack-branching found along the crack path, enhances the resistance to the propagation of fatigue cracks. T2 - ASTM International Conference on Additive Manufacturing 2020 CY - Online meeting DA - 16.11.2020 KW - Additive Manufacturing KW - Cyclic R-Curve KW - Component assessment KW - L-PBF KW - 316L KW - Residual Stress KW - Fatigue Crack Growth PY - 2020 AN - OPUS4-51585 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Kuchenbecker, Petra T1 - Praktische Erfahrungen zur Granulometrie von Pulvern im Submikron- und Nanobereich N2 - Der Vortrag beleuchtet insbesondere die Herausforderungen die sich bei der Dispergierung der Nanopulver aufgrund der hohen Adhäsivkräfte ergeben. Die Bewertung der Probenpräparation ist nur indirekt zugänglich, aber essentiell für die Zuverlässigkeit der Messergebnisse. Anhand von Beispielen werden Lösungsvorschläge aufgezeigt. Der Vortrag schließt mit einem Vorschlag zur Strategie der Herangehensweise bei der Partikelgrößenbestimmung von Nanopulvern. T2 - Sitzung des Fachausschusses "Material- und Prozessdiagnostik" der Deutschen Keramischen Gesellschaft: Zuverlässige granulometrische Charakterisierung von Mikro- und Nanopulvern – Voraussetzung für optimierte Keramikwerkstoffe in der Energietechnik CY - Online meeting DA - 19.11.2020 KW - Nano-powder KW - particle size determination KW - dispersion KW - sample preparation PY - 2020 AN - OPUS4-51665 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Haapalehto, Matias A1 - Pinomaa, Tatu A1 - Wang, Lei A1 - Laukkanen, Anssi T1 - An atomistic simulation study of rapid solidification kinetics and crystal defects in dilute Al–Cu alloys N2 - Rapid solidification kinetics of dilute Al–Cu alloys is simulated using a quantum mechanics based bondorder potential (BOP), in free solidification conditions, to determine kinetic and thermodynamic properties of solidification, as well as point defects and chemical ordering of the solidified structures. We measure the anisotropic kinetic coefficient, anisotropic solid–liquid interface energy, as well as solute trapping kinetics in terms of partition coefficient versus velocity and solute drag coefficient. Furthermore, solid–liquid interface free energy and its anisotropy are measured in equilibrium simulations, showing reasonably good agreement with previous studies. We also verified the self-consistency of the MD simulations, by comparing the interfacial temperature vs. velocity to that predicted by the continuous growth model. These solid–liquid interface properties are important for quantitative parametrization of larger scale solidification modeling techniques such as phase field models. We also investigated the point defect content, local chemical ordering, and local crystalline structures in the rapidly solidified samples. We found clustering of solute with vacancies, whereas copper atoms repelled each other in these dilute alloy simulations. In addition to vacancies, a large number of interstitials were found. In solidification velocities approaching the complete solute trapping regime, we found that the vacancies and interstitials formed in conjunction, i.e. as Frenkel pairs. Finally, in addition to FCC, we detected BCC and HCP phases, where the latter two were accompanied by an increase in local copper content. Understanding the formation of point defects and their relationship to chemical ordering is an important step towards controlling the formation of pre-precipitates and precipitates, which are an important strengthening mechanism for aluminum–copper alloys. KW - Rapid solidification KW - Aluminum–copper KW - MD PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-628722 DO - https://doi.org/10.1016/j.commatsci.2022.111356 SN - 0927-0256 VL - 209 SP - 1 EP - 13 PB - Elsevier CY - Amsterdam AN - OPUS4-62872 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -