TY - CONF A1 - Evans, Alexander A1 - Ávila, Luis A1 - Werner, Tiago A1 - Sommer, Konstantin A1 - Ulbricht, Alexander A1 - Sprengel, Maximilian A1 - Charmi, Amir A1 - Mohr, Gunther A1 - Rehmer, Birgit A1 - Skrotzki, Birgit A1 - Falkenberg, Rainer A1 - Bettge, Dirk A1 - Madia, Mauro A1 - Zerbst, Uwe A1 - Kromm, Arne A1 - Hilgenberg, Kai A1 - Kannengießer, Thomas A1 - Bruno, Giovanni T1 - Ageing behaviour of laser powder bed fused 316L: a powder to failure approach N2 - Laser powder bed fusion (LPBF) is an additive manufacturing process for materials which inherently tends to yield various degrees of metastable hierarchical microstructures, defects and high residual stresses in the as-built condition depending on the process parameters. The understanding of the evolution of these typical features during heat treatment and subsequent thermal and mechanical ageing is crucial for the wider acceptance for safety critical structures. A multi-disciplinary research project at BAM studying the development of the microstructure, defects, residual stresses typical of LPBF 316L and their evolution during thermal and mechanical ageing has led to insights into the stability of these inherent features. This presentation aims to give a broad overview of the project with a few specific cases of investigation. Firstly, the formation of residual stresses, the nature of the initial microstructure, the tensile properties and a modelling approach to understand the anisotropy will be presented. This will be followed by examples of studies of their evolution during heat treatment, long term thermal exposure, and room temperature and high temperature mechanical testing compared to a baseline of conventional wrought variant of the same alloy. T2 - International Conference on Additive Manufacturing 2021 (ICAM 2021) CY - Online meeting DA - 01.11.2021 KW - Ageing KW - Additive manufacturing KW - Laser powder bed fusion KW - AGIL PY - 2021 AN - OPUS4-54106 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Evans, Alexander A1 - Ávila, Luis A1 - Werner, Tiago A1 - Sommer, Konstantin A1 - Ulbricht, Alexander A1 - Sprengel, Maximilian A1 - Charmi, Amir A1 - Mohr, Gunther A1 - Altenburg, Simon A1 - Rehmer, Birgit A1 - Skrotzki, Birgit A1 - Falkenberg, Rainer A1 - Bettge, Dirk A1 - Madia, Mauro A1 - Zerbst, Uwe A1 - Kromm, Arne A1 - Hilgenberg, Kai A1 - Kannengießer, Thomas A1 - Bruno, Giovanni T1 - Entwicklung der Mikrostruktur der mechanischen Eigenschaften und der Eigenspannungen in L-PBF 316L N2 - Die additive Fertigung (AM) metallischer Werkstoffe mittels Laser Powder Bed Fusion (L-PBF) ermöglicht einzigartige hierarchische Mikrostrukturen, die zu Verbesserungen bestimmter mechanischer Eigenschaften gegenüber konventionell hergestellten Varianten derselben Legierung führen können. Allerdings ist das L-PBF-Verfahren häufig durch das Vorhandensein hoher Eigenspannungen gekennzeichnet, die es zu verstehen und zu mindern gilt. Daher ist das Verständnis der Mikrostrukturen, der Eigenspannungen und der daraus resultierenden mechanischen Eigenschaften entscheidend für eine breite Akzeptanz bei sicherheitskritischen Anwendungen. Die BAM hat ein multidisziplinäres Forschungsprogramm gestartet, um diese Aspekte bei LPBF 316L zu untersuchen. Der vorliegende Beitrag stellt einige der wichtigsten Ergebnisse vor: der Einfluss von Prozessparametern auf die Mikrostruktur, der Einfluss von Mikrostruktur und Textur auf die Festigkeit, Kriechverhalten und Schädigung und die Stabilität von Eigenspannungen und Mikrostruktur unter Wärmebehandlungsbedingungen. T2 - DGM 3. Fachtagung Werkstoffe und Additive Fertigung CY - Dresden, Germany DA - 11.05.2022 KW - Mechanische Eigenschaften KW - Additive Fertigung KW - L-PBF 316L KW - Entwicklung KW - Mikrostruktur KW - Eigenspannung PY - 2022 AN - OPUS4-55786 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Evans, Alexander A1 - Mohr, Gunther A1 - Hilgenberg, Kai A1 - Straße, Anne A1 - Gumenyuk, Andrey A1 - Winterkorn, René A1 - Pittner, Andreas A1 - Sommer, Konstantin A1 - Bettge, Dirk A1 - Kranzmann, Axel A1 - Nolze, Gert A1 - Avila, Luis A1 - Rehmer, Birgit A1 - Charmi, Amir A1 - Falkenberg, Rainer A1 - Skrotzki, Birgit A1 - Werner, Tiago A1 - Madia, Mauro A1 - Zerbst, Uwe A1 - Ulbricht, Alexander A1 - Sprengel, Maximilian A1 - Kromm, Arne A1 - Thiede, Tobias A1 - Bruno, Giovanni T1 - Ageing in additively manufactured metallic components: from powder to mechanical failure” an overview of the project agil N2 - An overview of the BAM funed Focus Area Materials Project "AGIL" will be presented. AGIL focussed on the stdiy of the ageing characteristics of additively manufactured austenitic stainless steel with a "powder to mechanical failure" Approach. Recent Highlights are presented and a perspective for future studies. T2 - Workshop on Additive Manufacturing CY - BAM, Berlin, Germany DA - 13.05.2019 KW - Residual stress KW - Additive Manufacturing KW - Non-destructive testing KW - Microstructure characterisation KW - Tensile testing KW - Fatigue KW - Crystal Plasticity Modelling KW - Crack propagation PY - 2019 AN - OPUS4-49823 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Ernst, A. A1 - Klein, S. A1 - Hall, T. A1 - Avila, Luis A1 - Bähre, D. T1 - Electrochemical dressing of hard tools for abrasive precision machining N2 - In this study an approach for dressing metallic bonded honing stones with hard cutting grains on the basis of electrolysis is investigated. By a combination of concepts from electrochemical machining (ECM) and electropolishing a test rig was designed and put into operation. In general, it can be stated that the Approach investigated in this paper has proved to be a suitable dressing method for honing stones. However, the dressing result is highly dependent on bond components, cutting grain size and concentration which lead to local differences in the material removal and irregular topographies. This could be overcome, for example, by setting the dressing parameters more precisely based on the best results presented in this paper. T2 - International Symposium on ElectroChemical Machining Technology CY - Saarbrücken, Germany DA - 14.11.2019 KW - Irregular topography KW - Honing KW - Electrochemical dressing KW - Honing Stone KW - Laser Scanning Microscopy KW - Electropolishing PY - 2019 SN - 978-3-00-064086-5 SP - 96 EP - 108 PB - Fertigungstechnik Saarbrücken CY - Saarbrücken AN - OPUS4-49490 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Erdmann, Maren A1 - Kleinbub, Sherin A1 - Böhning, Martin A1 - Niebergall, Ute A1 - Koerdt, Andrea T1 - Initial attachment of bacteria on PE-HD by fluorescence microscopy and colony-forming unit N2 - The first documentation of fuel biodeterioration dates back to the late 19th century. However, extensive studies concerning the microbial fuel contamination started in 1980’s. Polymeric fuel storage tanks containing diesel and biodiesel provide environmental conditions for microbial growth. Several studies demonstrated that bacteria, which were found in contaminated fuel systems, can use fuels as macronutrient; but such bacteria can also cause microbiologically influenced corrosion and fouling. The aim of this study is to investigate the initial attachment behavior of bacteria, isolated from a diesel contamination, on neat and photooxidized high-density polyethylene (PE-HD). Two common PE-HD’s, less- and biodiesel-stabilized, were radiated to UV light representing a tank exposed to sunlight. The effect of photooxidiation on PE-HD’s surface were characterized chemically by Fourier-transform infrared spectroscopy (FTIR). The attached bacteria Pseudomonas aeruginosa and Bacillus subtilis on the polymer surface were evaluated by fluorescence microscopy and colony-forming unit tests (CFU). T2 - MoDeSt2018 CY - Tokio, Japan DA - 02.09.2018 KW - PE-HD KW - Initial attachment KW - UV-irradiation PY - 2018 AN - OPUS4-45893 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Erdmann, Maren A1 - Wachtendorf, Volker A1 - Böhning, Martin A1 - Niebergall, Ute T1 - PE-HD as a polymeric fuel storage tank material: Photooxidation, fuel sorption and long-term storage N2 - High-density polyethylene (PE-HD) is a commodity thermoplastic polymer which is typically used for packing of dangerous goods. Its good resistance against photooxidation, fuels, chemicals and other environmental factors in addition to low production costs makes PE-HD attractive for fuel storage applications. Typical engine fuels stored in polymer tanks are petrol, diesel and biodiesel that receives increasing attention as proper alternative to fossil fuels. One of the major problems with biodiesel is its susceptibility to oxidize due to its chemical composition of unsaturated fatty acids which also can cause polymer degradation. The aim of this study is to investigate the influence of different environmental factors, UV radiation and commonly stored fuels, on the mechanical, physical and chemical properties of two types of PE-HD polymers (stabilized and non-stabilized). The influence on the mechanical properties was tested by Charpy and tensile tests, chemical and physical properties were evaluated by Fourier-transform infrared spectroscopy (FTIR) and by dynamical mechanical analysis (DMA) tests. Samples were characterized after varying exposure time of UV radiation and after fully and partially immersion in biodiesel. In addition, similar experiments were conducted using diesel for comparison. T2 - MoDeSt2018 CY - Tokio, Japan DA - 02.09.2018 KW - PE-HD KW - Biodiesel KW - UV-irradiation KW - Long-term storage KW - Diesel PY - 2018 AN - OPUS4-45894 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Epishin, A. A1 - Bokstein, B. A1 - Svetlov, I. A1 - Fedelich, Bernard A1 - Feldmann, Titus A1 - Le Bouar, Y. A1 - Ruffini, A. A1 - Finel, A. A1 - Viguier, B. A1 - Poquillon, D. T1 - A vacancy model for pore annihilation during hot isostatic pressing of single-crystal nickel-base superalloys N2 - An improved diffusion model is proposed for pore annihilation during HIP of single-crystal nickel-base superalloys. The model assumes the pore dissolution by emission of vacancies and their sink to the low angle boundaries. Calculation, considering distribution of the pore sizes, predicts the kinetics of pore annihilation similar to the experimental one. KW - Single crystal superalloys KW - Hot isostatic pressing (HIP) KW - Porosity KW - Diffusion KW - Vacancies PY - 2018 DO - https://doi.org/10.1134/S2075113318010100 SN - 2075-1133 VL - 9 IS - 1 SP - 57 EP - 65 PB - Pleiades Publishing, Ltd. AN - OPUS4-43990 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Elfetni, Seif A1 - Darvishi Kamachali, Reza T1 - Application of deep learning to multi-phase-field modelling and simulation N2 - Recent advances in Deep Learning (DL) have significantly impacted the field of materials modelling. DL tools have been recently considered as promising tools to address the complex relationships among processing, microstructure and property of materials. The thermal stability of polycrystalline materials is a highly interesting and complex problem that could be addressed using DL techniques. The Multi-Phase-Field (MPF) method has emerged as a powerful tool for addressing grain growth phenomena from multiple perspectives. Unlike sharp-interface based methods, the MPF approach bypasses the need for detailed information on individual grains. In this work, we use DL to address issues related to MPF simulations of grain growth including numerical efficiency, computing speed, and resource consumption. This presents specific challenges for high-performance computing (HPC) due to the large datasets and complex computations required by both MPF and DL methods. We study various 3D microstructure settings with the goal of accelerating the simulation process while exploring different physical effects. In particular, the impact of grain boundary and triple junction energies on grain growth are to be investigated. The results will be presented in terms of the evolving size and shape distribution of the grains. T2 - Euromat 2023 CY - Frankfurt a. M., Germany DA - 03.09.2023 KW - Phase-Field Simulation KW - Microstructure Evolution KW - Physics-informed Neural Network KW - Machine Learning PY - 2023 AN - OPUS4-58225 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Eisermann, René A1 - Schukar, Marcus A1 - Nagel, Lukas A1 - Hickmann, Stefan A1 - Munzke, Dorit A1 - Trappe, Volker T1 - Characterising the material degradation of inner pressure-loaded GFRP-tube specimens using distributed strain sensing N2 - Glass-fibre-reinforced plastics (GFRP) are commonly used for the construction of pressure vessels and tanks for example in automotive and aerospace industries. Especially for pressure vessels used for the storage of natural gas or hydrogen with operation pressures up to 700 bar, an early material fatigue detection is of great interest. Measuring the distributed strain profile of GFRP structures helps to understand and detect material fatigue. In this article, we demonstrate the great potential of swept wavelength interferometry (SWI) based distributed strain sensing for the monitoring of pressure vessels made from GFRP. A resin transfer molding (RTM) process was used to manufacture GFRP-tube specimens. Commercial optical fibres with polyimid coating were glued to the surface externally in circumferential and axial direction. A cyclic load of up to 150 bar was applied to the samples using a servo-hydraulic test bench. Comparing the loaded and unloaded test conditions, we determined up to 2 % elongation in circumferential direction. We demonstrate reliable distributed strain measurements with sub-centimetre spatial resolution. By monitoring these high-resolution strain profiles, we were able to detect local material degradation that manifested itself as localized strain changes. Crucially, the material Degradation could be detected already after 75 % of dat the fatigue life before a crack appeared that led to leakage. T2 - Sensoren und Messsysteme - 19. ITG/GMA-Fachtagung CY - Nürnberg, Germany DA - 26.06.2018 KW - Distributed fibre optic sensors KW - Optical backscatter reflectometry KW - Swept wavelength interferometry (SWI) KW - Structural health monitoring (SHM) KW - Composite structures KW - Optical fibre PY - 2018 UR - https://ieeexplore.ieee.org/document/8436172/ SN - 978-3-8007-4683-5 SP - 239 EP - 242 PB - VDE VERLAG GMBH CY - Berlin AN - OPUS4-45887 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Eisentraut, Paul A1 - Dümichen, Erik A1 - Braun, Ulrike T1 - Kunststoffgehalte schnell bestimmen mit der TED-GC-MS N2 - Der Vortrag behandelt die Analyse von Kunststoffen in Umweltproben mit dem thermischen Verfahren TED-GC-MS. Das Verfahren und dessen Funktionsweise werden vorgestellt, erfolgte Optimierungen, Verfahrenskenndaten sowie Möglichkeiten der Quantifizierung behandelt. T2 - Projektübergreifendes Mikroplastikseminar BASEMAN, BONUS MICROPOLL, MiWa CY - Berlin, Germany DA - 16.10.2017 KW - Mikroplastik KW - Analyse KW - TED-GC-MS PY - 2018 AN - OPUS4-43927 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Eisenbart, M. A1 - Bauer, F. A1 - Klotz, U. A1 - Weber, M. A1 - Beygi Nasrabadi, Hossein A1 - Hanke, T. A1 - Dziwis, G. A1 - Meissner, R. A1 - Tikana, L. T1 - KupferDigital – Datenökosystem für die digitale Materialentwicklung auf Basis Ontologie-basierter digitaler Repräsentationen von Kupfer und Kupferlegierungen N2 - Kern des Projektes KupferDigital ist es, einen Demonstrator für ein digitales Datenökosystem zu erstellen, der der Digitalisierung der Materialforschung und der metallverarbeitenden Industrie als zukunftsfähige Plattform zur Verfügung stehen soll. Das Projekt KupferDigital entwickelt Methoden und Konzepte, um den Lebenszyklus am Beispiel von Kupfer – von der Erzgewinnung bis zum Recycling – digital zu erfassen. Grundlage ist die Entwicklung sogenannter Ontologien. Diese können als eine Art Wissensnetz verstanden werden. Sie dienen als gemeinsame Standards für die Beschreibung von Werkstoffen und technischen Vorgängen. Sie helfen bei der digitalen Erfassung von Prozessschritten sowie von Materialeigenschaften. Parallel dazu werden Konzepte für Datenstrukturen, die Speicherung und den Austausch von Werkstoffdaten über neu zu definierende Schnittstellen erarbeitet. Über die Bereitstellung digitalisierter Lebenszyklen von Kupfer wird die Industrie bei der Pro-duktentwicklung befähigt, neue Werkstoffentwicklungen frühzeitig zu bewerten, beispielsweise unter dem Gesichtspunkt der Nachhaltigkeit. Kupfer kommt hier eine aktuelle Bedeutung zu, weil es für die digitale Transformation sowie die Energie- und Mobilitätswende von fundamentaler Bedeutung ist und somit von hohem gesellschaftlichem Wert. Die Projektziele sind sowohl auf weitere metallische Struktur- und Funktionswerkstoffe als auch auf andere Industriebereiche übertragbar. Die Projektergebnisse werden im Rahmen der Aktivitäten der Innovationsplattform MaterialDigital allen Interessierten zur Verfügung gestellt. T2 - MatFo2022 „Vom Material zur Innovation: Digital, Neutral, Vital“ CY - Online meeting DA - 14.11.2022 KW - Kupfer KW - Datenökosystem KW - Materialentwicklung KW - Ontologie PY - 2022 AN - OPUS4-56405 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Eisenbart, M. A1 - Bauer, F. A1 - Klotz, U. A1 - Weber, M. A1 - Beygi Nasrabadi, Hossein A1 - Skrotzki, Birgit A1 - Klengel, R. A1 - Steinmeier, L. A1 - Parvez, A. A1 - Hanke, T. A1 - Dziwis, G. A1 - Meissner, R. A1 - Tikana, L. A1 - Heisterkamp, J. T1 - Development of an ontology for the lifecycle of copper and copper alloys N2 - Efforts towards digitalization in the material science and technology community have enhanced in the last years. In 2019 the German digitalization initiative platform „MaterialDigital“1 (MD) has been started. Numerous projects concerning digitalization, including the copper related project „KupferDigital“ (copper digital) have been initiated under the umbrella of MD. The initiative strives to address numerous issues concerning data access, exchange, security, provenance and sovereignty. Heterogeneous data origin, storage and evaluation often result in problems concerning comparability and reproducibility of scientific and technological results. In many cases material data are recorded, but the methods of testing are insufficiently described, or such information is not communicated along with the raw data. The material data can also have numerous different formats such as paper printouts, pdfs, excel sheets or csv-files. Hence, gathering and integrating material data from different sources is challenging for potential users like materials scientists and engineers, especially if there are contradictory data where the reasons for contradictions is not clear due their vague description. In order to address these problems, data should comply to the so called „FAIR“ principle which calls for data to be findable, accessible, interoperable, and reusable (FAIR)2 and hence be accessible via so-called decentralized but interconnected data spaces. By using knowledge representation withontologies, data can be enriched with meaning and the methods of the testing procedures can be accurately provided. In this presentation we want to introduce our approach to such knowledge representation based on a high-throughput alloy development process for Cu-based alloys³ along with characterization techniques such as hardness testing and microstructural characterization (e.g. EBSD – Electron Backscattered Diffraction). T2 - Copper Alloys Conference CY - Dusseldorf, Germany DA - 22.11.2022 KW - Copper KW - Life cycle KW - Ontology PY - 2022 AN - OPUS4-56406 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Eddah, Mustapha A1 - Markötter, Henning A1 - Mieller, Björn A1 - Beckmann, Jörg A1 - Bruno, Giovanni T1 - Synchrotron Multi-energy HDR tomography for LTCC systems N2 - LTCCs (Low-temperature co-fired ceramics) consist of three-dimensionally distributed, hermetically bonded ceramic and metallic components with structure sizes within [10; 100] µm. A non-destructive imaging technique is needed that provides 3D, sharp, high-contrast resolution of these structures, as well as porosity and defect analysis, which is made difficult by the very different X-ray absorption coefficients of the individual components of the microstructure. A HDR method is being developed that allows a combination of different tomograms, each with X-ray energies adapted to individual materials. T2 - Bessy II User Meeting CY - Berlin, Germany DA - 22.06.2023 KW - LTCC KW - Synchrotron tomography KW - Data fusion KW - In-situ tomography PY - 2023 AN - OPUS4-57795 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Dümichen, Erik A1 - Eisentraut, Paul A1 - Braun, Ulrike T1 - Fast identification of microplastics using thermal extractions methods N2 - A new and full automated system for the analysis of microplastics in environmental samples is presented. T2 - BAM-BfR Seminar 2018 CY - Berlin, Germany DA - 15.02.2018 KW - Mikroplastik KW - TED KW - Thermal degradation PY - 2018 AN - OPUS4-44179 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Donėlienė, J. A1 - Rudzikas, M. A1 - Rades, Steffi A1 - Dörfel, Ilona A1 - Peplinski, Burkhard A1 - Sahre, Mario A1 - Pellegrino, F. A1 - Maurino, V. A1 - Ulbikas, J. A1 - Galdikas, A. A1 - Hodoroaba, Vasile-Dan T1 - Electron Microscopy and X-Ray Diffraction Analysis of Titanium Oxide Nanoparticles Synthesized by Pulsed Laser Ablation in Liquid N2 - A femto-second pulsed laser ablation in liquid (PLAL) procedure for the generation of titanium oxide nanoparticles (NP) is reported with the purpose of understanding morphology and structure of the newly generated NPs. Ablation duration was varied for optimization of NP generation processes between 10 and 90 min. Surface morphology of NPs as well as their size and shape (distribution) were analysed by various complementary electron microscopy techniques, i.e. SEM, TSEM and TEM. The crystalline structure of titanium oxide particles was investigated by XRD(two instruments operated in different geometries) and HR-TEM. Concentration of generated titanium oxide NPs in liquid was analysed by ICP-MS. A mix of crystalline (mainly anatase), partly crystalline and amorphous spherical titanium oxide NPs can be reported having a mean size between 10 and 20 nm, which is rather independent of the laser ablation (LA) duration. A second component consisting of irregularly shaped, but crystalline titanium oxide nanostructures is co-generated in the LA water, with more pronounced occurrence at longer LA times. The provenance of this component is assigned to those spherical particles generated in suspension and passing through the converging laser beam, being hence subject to secondary irradiation effects, e. g. fragmentation. KW - Laser ablation in liquid KW - Nanoparticles KW - Titanium oxide KW - Particle morphology PY - 2018 UR - https://www.cambridge.org/core/journals/microscopy-and-microanalysis/article/electron-microscopy-and-xray-diffraction-analysis-of-titanium-oxide-nanoparticles-synthesized-by-pulsed-laser-ablation-in-liquid/AE368446FAC70E08C514F9AEABFD131B DO - https://doi.org/10.1017/S1431927618009030 VL - 24 IS - S1 (August) SP - 1710 EP - 1711 PB - Cambridge University Press CY - New York, NY, U.S.A. AN - OPUS4-45949 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Dmitriev, A. I. A1 - Nikonov, A. Y. A1 - Österle, Werner T1 - Molecular dynamics modeling of the sliding performance of an amorphous silica nano-layer - The impact of chosen interatomic potentials N2 - The sliding behavior of an amorphous silica sample between two rigid surfaces is in the focus of the present paper. Molecular Dynamics using a classical Tersoff’s potential and a recently developed ReaxFF potential was applied for simulating sliding within a thin film corresponding to a tribofilm formed from silica nanoparticles. The simulations were performed at different temperatures corresponding to moderate and severe tribological stressing conditions. Simulations with both potentials revealed the need of considering different temperatures in order to obtain a sound interpretation of experimental findings. The results show the striking differences between the two potentials not only in terms of magnitude of the resistance stress (about one order of magnitude) but also in terms of friction mechanisms. The expected smooth sliding regime under high temperature conditions was predicted by both simulations, although with Tersoff’s potential smooth sliding was obtained only at the highest temperature. On the other hand, at room temperature Tersoff-style calculations demonstrate stick-slip behavior, which corresponds qualitatively with our experimental findings. Nevertheless, comparison with a macroscopic coefficient of friction is not possible because simulated resistance stresses do not depend on the applied normal pressure. KW - Molecular dynamics KW - Thin tribofilm KW - Resistance stress KW - Sliding simulation KW - Amorphous silica PY - 2018 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-449366 DO - https://doi.org/10.3390/lubricants6020043 SN - 2075-4442 VL - 6 IS - 2 SP - 43, 1 EP - 11 PB - MDPI CY - Basel AN - OPUS4-44936 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Dittmann, Daniel A1 - Braun, Ulrike A1 - Jekel, M. A1 - Ruhl, A. S. T1 - Thermoanalytische Verfahren in der Umweltanalytik: Neue Methoden für die weitergehende Abwasserbehandlung mit Aktivkohle N2 - In diesem Beitrag werden zwei Möglichkeiten zur Quantifizierung von PAK in Belebtschlamm durch thermogravimetrische Methoden beschrieben sowie der Einfluss von PAK auf die Biomasse mittels Zersetzungsgasanalyse nachgewiesen. T2 - Wasser 2018 CY - Papenburg, Germany DA - 07.05.2018 KW - Thermogravimetrie KW - Belebtschlamm KW - Infrarotspektroskopie KW - Thermoanalyse KW - Pulveraktivkohle PY - 2018 SN - 978-3-947197-05-7 SP - 301 EP - 305 AN - OPUS4-44972 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Dittmann, Daniel A1 - Braun, Ulrike A1 - Jekel, M. A1 - Ruhl, A. S. T1 - Quantification and characterisation of activated carbon in activated sludge by thermogravimetric and evolved gas analyses N2 - Advanced wastewater treatment with powdered activated carbon (PAC) leads to a spread of PAC into different purification stages of wastewater treatment plants (WWTP) due to recirculation and filter back-wash. Currently, no methods for quantification of PAC in activated sludge are available. In this study, PAC containing activated sludge from four WWTP were examined by two-step thermogravimetric analysis (TGA) with heating up to 600°C in N2 and subsequently in synthetic air. Direct quantification of PAC according to temperature specific weight losses was possible for one WWTP. Quantification by combining specific mass losses was found to be an alternative direct method, with a detection limit of 1.2% PAC in dry sample mass. Additionally, evolved gas analysis (EGA) by infrared-spectroscopy (FTIR) during TGA revealed interaction mechanisms between PAC and activated sludge. Aliphatic compounds from activated sludge were identified as major substances influenced by PAC. In derivative thermogravimetry (DTG), a typical double peak at approximately 300°C was found to be related to carbonylic species with increased evolution of acetic acid in aged activated sludge. TGA and EGA are promising tools to understand, control and optimise the application of PAC in advanced wastewater treatment. KW - Advanced wastewater treatment KW - Powdered activated carbon KW - Sewage treatment plant KW - Thermoanalysis KW - Thermogravimetry KW - Fourier transform infrared spectroscopy PY - 2018 UR - http://www.sciencedirect.com/science/article/pii/S2213343718301313 DO - https://doi.org/10.1016/j.jece.2018.03.010 SN - 2213-3437 VL - 6 IS - 2 SP - 2222 EP - 2231 PB - Elsevier CY - Amsterdam AN - OPUS4-44978 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Dittmann, Daniel A1 - Braun, Ulrike A1 - Jekel, M. A1 - Ruhl, A. S. T1 - Thermoanalytische Verfahren in der Umweltanalytik: Neue Methoden für die weitergehende Abwasserbehandlung mit Aktivkohle N2 - Motivation: > Zunehmender Einsatz von Pulveraktivkohle (PAK) zur Spurenstoffelimination in kommunalen Kläranlagen > Bisher keine analytische Methode zur Quantifizierung von PAK in Belebungsbecken, bzw. in Gegenwart von Belebtschlamm > Anwendung der Thermogravimetrischen Analyse (TGA) zur Feststoffcharakterisierung auf Umweltfragestellungen Ergebnisse: > Quantifizierung von PAK in Belebtschlamm ist möglich und kann über unterschiedliche zweistufige TGA-Methoden erfolgen > Zersetzungsgasanalyse zeigt veränderte und verzögerte Freisetzung aliphatischer Produkte des Belebtschlamms T2 - Wasser 2018 CY - Papenburg, Germany DA - 07.05.2018 KW - Thermogravimetrie KW - Belebtschlamm KW - Infrarotspektroskopie KW - Thermoanalyse KW - Pulveraktivkohle PY - 2018 AN - OPUS4-44974 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Dittmann, Daniel T1 - Charakterisierung und selektive Quantifizierung von Aktivkohle N2 - Pulveraktivkohle (PAK) ist für die Spurenstoffelimination in der kommunalen Abwasserbehandlung sehr bedeutsam. Eine neue Methode hilft die PAK-Konzentration im Belebungsbecken einer Kläranlage analytisch zu bestimmen und bietet Möglichkeiten Adsorptionsmechanismen besser zu verstehen. KW - Thermogravimetrie KW - Pulveraktivkohle KW - Infrarotspektroskopie PY - 2018 SN - 1438-5716 SN - 0043-0986 VL - 68 IS - 4 SP - 16 EP - 17 PB - Huss-Medien GmbH CY - Berlin AN - OPUS4-45030 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Diener, S. A1 - Zocca, Andrea A1 - Günster, Jens T1 - Literature review: Methods for achieving high powder bed densities in ceramic powder bed based additive manufacturing N2 - In additive manufacturing the powder bed based processes binder jetting and powder bed fusion are increasingly used also for the production of ceramics. Final part properties depend to a high percentage on the powder bed density. Therefore, the aim is to use the best combination of powder deposition method and powder which leads to a high packing of the particles. The influence of flowability, powder properties and deposition process on the powder bed density is discussed and the different deposition processes including slurry-based ones are reviewed. It turns out that powder bed density reached by slurry-based layer deposition exceeds conventional powder deposition, however, layer drying and depowdering are extra steps or more time-consuming for the slurry route. Depending on the material properties needed the most suitable process for the part has to be selected. KW - Additive Manufacturing KW - Powder-based processes KW - Powder bed density PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-534992 DO - https://doi.org/10.1016/j.oceram.2021.100191 VL - 8 SP - 100191 PB - Elsevier Ltd. AN - OPUS4-53499 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Deubener, J. A1 - Müller, Ralf A1 - Waurischk, Tina A1 - Reinsch, Stefan A1 - Behrens, H. A1 - Balzer, R. A1 - Bauer, U. A1 - Kiefer, P. T1 - Micromechanical properties of hydrous oxide glasses N2 - Presentation of the results on structure and mechanical properties of water-bearing oxide glasses, which were found during the project at the locations Clausthal, Hanover and Berlin within the priority program SPP1594. T2 - 9th Otto Schott Colloquium CY - Jena, Germany DA - 09.09.2019 KW - Crack growth KW - Glass KW - Water content KW - Mechanical properties KW - IR PY - 2019 AN - OPUS4-50444 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - de Melo Bernardino, Raphael A1 - Valentino, S. A1 - Franchin, G. A1 - Günster, Jens A1 - Zocca, Andrea T1 - Manufacturing of ceramic components with internal channels by a novel additive/subtractive hybridizazion process N2 - A new approach for fabrication of ceramic components with inner channels is proposed, as a result of the combination of two additive and one subtractive manufacturing processes. In this project, porcelain parts are manufactured by the Layerwise Slurry Deposition (LSD) process, meanwhile end milling and Direct Ink Writing (DIW) are applied to create channels on the surface of the deposited ceramic. Unique to the LSD process is the Formation of a freestanding powder bed with a mechanical strength comparable to conventional slip casted ceramic green bodies. Combining these three processes allows the manufacturing of ceramic objects containing an internal path of ink, which in this case was a graphite-based ink that can be further eliminated by heat treatment to obtain a porcelain object embedded with channels. The results show the capabilities of this method and its potential to fabricate not only parts with inner channels, but also multi-material and multi-functional components (such as integrated electronic circuits). KW - Additive Manufacturing KW - Layerwise Slurry Deposition KW - Hybrid Manufacturing PY - 2020 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-510012 UR - https://www.sciencedirect.com/science/article/pii/S2666539520300109?via%3Dihub DO - https://doi.org/10.1016/j.oceram.2020.100010 VL - 2 SP - 100010 PB - Elsevier Ltd. AN - OPUS4-51001 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - de Camargo, Andrea Simone Stucchi T1 - Optical properties of glasses and ceramics N2 - Optical glasses and glass ceramics are present in many devices often used in our daily routine, such as the mobile phones and tablets. Since the 1960´s with the development of glass lasers, and more recently, within the search for efficient W-LEDs, sensors and solar converters, this class of materials has experienced extreme research progress. In order to tailor a material for such applications, it is very important to understand and characterize optical properties such as refractive index, transmission window, absorption and emission cross sections, quantum yields, etc. These properties can often be tuned by appropriate compositional choice and post-synthesis processing. In this lecture we will discuss the optical properties of glasses and glass ceramics, relevant to that end. T2 - 2nd CeRTEV Glass School CY - São Carlos, SP, Brazil DA - 22.04.2024 KW - Optical properties of glasses and ceramics PY - 2024 AN - OPUS4-60370 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - de Camargo, Andrea Simone Stucchi T1 - From guest scintillators to luminescent host-guest hybrid materials and nanoparticles: Contributions from LEMAF N2 - An overview of the research work conducted at LEMAF - the laboratory of spectroscopy of functional materials in IFSC/USP Brazil under my leadership, before I joined BAM was given. T2 - FunGlass Graduate Program School CY - Oponice, Slovakia DA - 10.10.2023 KW - Multifunctional nanoparticles KW - Structure property correlations KW - Host-guest hybrid materials KW - Scintillators KW - Persistent luminescent KW - Phosphors KW - Composite materials PY - 2024 AN - OPUS4-60368 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - de Camargo, Andrea Simone Stucchi T1 - Structure-property correlations in RE-doped fluoride-phosphate glasses sought by NMR, EPR & PL N2 - As the development of optimized glass compositions by traditional trial-and-error methods is laborious, expensive, and time consuming, it is desirable to gather fundamental understanding of structure and to develop structure-property relation models, which allow best and faster choices. Particularly, when it comes to optical applications of glasses doped with emissive trivalent rare earth ions (RE), the chemical environmental around the ions will have a direct influence on the radiative/non-radiative emission probabilities. The vibrational environment and the chemical nature of the bonds in the first coordination sphere of the ions can be tailored, to some extent, based on structural information given by magnetic resonance (NMR and EPR) techniques associated to Raman and photophysical characterization. For the past 5 years, one of the interests of my research group at the University of São Paulo, in Brazil, has been the development of high-density fluoride-phosphate glasses as promising UV and X-ray scintillator materials. The targeted glasses offer a lower vibrational energy, less hygroscopic fluoride environment for the RE ions whereas the phosphate network provides improved mechanical and chemical stability than a purely fluoride glass matrix. Different sets of glasses, based on the compositional system (Ba/Sr)F2-M(PO3)3-MF3-(Sc/Y)F3 where M = Al, In, Ga, and the phosphate component is substituted by the fluoride analogue in 10-30 mol%, were investigated, using Sc3+, Y3+, and the Eu3+ and Yb3+ dopants, as structural probes. Overall, results show that the desired RE coordination by F, at a given F/P ratio, is proportional to the atomic mass of M (In> Ga> Al) and that the Ga- and In- based systems differ from the Al- one by near absence of P-O-P network linkages i.e, the network structures are dominated by Ga-O-P or In-O-P linkages as evidenced by 31P MAS-NMR and Raman. These results are nicely corroborated by observation of decreased intensity in the vibronic band of Eu3+ and significant increase in the excited state lifetime values. Radioluminescence studies were carried out for a series of In-based glasses doped with Ce3+ and Tb3+ yielding intense emissions in the blue and green, respectively, compatible to the spectral region of highest sensitivity of radiation sensor detectors. The aim of the presentation is to show how powerful the combination of NMR, EPR, Raman and PLE spectroscopies can be to provide structural information and to present the perspectives for their introduction in the research agenda of Division 5.6 – Glass, which I now lead, at the Federal Institute for Materials Research and Testing (BAM) in Berlin, Germany. T2 - GOMD 2024 - Glass and Optical Division Meeting, ACerS CY - Las Vegas, NV, USA DA - 19.05.2024 KW - Glass Digital KW - Glasses KW - Robotic melting PY - 2024 AN - OPUS4-60357 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - de Camargo, Andrea Simone Stucchi T1 - Glass Digitalization: Contributions from BAM N2 - An overview of the Glass Digitalization efforts at BAM, within the framework of the Glass Digital consortium, was given. From the development of the robotic melting device to the ML capabilities, a description of the different stages of the developments and roles of project partner was presented. T2 - GlaCerHub Melting Day CY - Oponice, Slovakia DA - 12.06.2024 KW - Glass Digital KW - Robotic glass melting KW - Digitalization PY - 2024 AN - OPUS4-60365 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - de Camargo, Andrea Simone Stucchi T1 - Spectroscopy Lectures N2 - As a guest professor of FUNGLASS, I delivered 3 lectures on spectroscopy to the Graduate School Program, the postdoctoral fellows and other researchers: 1) Introduction to spectroscopy applied to solid state materials (with focus on glass and glass ceramics); 2) Vibrational spectroscopy (Infrared and Raman); 3) Electron Paramagnetic Resonance T2 - FunGlass CY - Trencín, Slovakia DA - 03.06.2024 KW - Spectroscopy KW - Radiation-matter interaction KW - FT-IR KW - Raman KW - EPR PY - 2024 AN - OPUS4-60367 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - de Camargo, Andrea Simone Stucchi T1 - Gender equality in Sciences: Let´s teach our girls to be brave! N2 - A panorama of the global gender gap scenario in sciences, specially STEM, was given to illustrate the need for urgent actions (and suggestions of them) to correct biased treatment and promote females in their scientific careers. T2 - FunGlass School CY - Oponice, Slovakia DA - 10.06.2024 KW - Gender gap KW - Women in science KW - Female noble prize winners PY - 2024 AN - OPUS4-60366 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - de Camargo, Andrea Simone Stucchi T1 - Gender equality in sciences: Let's teach our girls to be brave! N2 - A global panorama of the Gender Gap in Sciences was presented along with recommendations on how to remediate unequal treatment of females in Science, and to prepare future generations for gender equality. T2 - Lunch Talk - Women@DGM: Gender Mindsets/Bias in an International Context CY - Online meeting DA - 14.06.2024 KW - Gender gap PY - 2024 AN - OPUS4-60369 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - de Camargo, Andrea Simone Stucchi T1 - Structure-property correlations in RE-doped fluoride-phosphate glasses for scintillation N2 - As the development of optimized glass compositions by traditional trial-and-error methods is laborious, time consuming, and expensive, it is desirable to develop glass compositions based on a fundamental understanding of the glass structure and to establish structure-property relation models. Particularly, when it comes to optical applications of glasses doped with emissive trivalent rare earth ions (RE), the chemical environmental around the ions will have a direct influence on the radiative/non-radiative emission probabilities. The local vibrational environment and the chemical nature of the bonds in the first coordination sphere of the ions can be tailored, to good extent, based on structural information given by magnetic resonance techniques (NMR and EPR), associated to Raman and photophysical characterization. For the past 5 years, while still employed at the University of São Paulo, in Brazil, one of the interests of my research group has been the development of high-density fluoride-phosphate glasses as promising UV and X-ray scintillator materials. The targeted glasses offer a lower vibrational energy, less hygroscopic fluoride environment for the RE ions whereas the phosphate network provides better mechanical and chemical stability than a purely fluoride glass matrix. Different sets of glasses, based on the compositional system (Ba/Sr)F2-M(PO3)3-MF3-(Sc/Y)F3 where M = Al, In, Ga, and the phosphate component is substituted by the fluoride analogue in 10 - 30 mol%, were investigated, using Sc3+, Y3+, and the Eu3+ and Yb3+ dopants, as structural probes. Overall, results show that the desired RE coordination by fluorine, at a given F/P ratio, is proportional to the atomic mass of M (In> Ga> Al) and that the Ga- and In- based systems differ from the Al- one by near absence of P-O-P network linkages. That is, the network structures are dominated by Ga-O-P or In-O-P linkages, as evidenced by 31P MAS-NMR and Raman. These results are nicely corroborated by observation of decreased intensity of the vibronic band in Eu3+-doped glasses and marked increase in excited state lifetime values. Radioluminescence studies were carried out for a series of In-based glasses doped with Ce3+ and Tb3+, yielding intense emissions in the blue and green, respectively, compatible to the spectral region of the highest sensitivity of radiation sensor detectors. The aim of the presentation is to show how powerful the NMR and EPR techniques can be to provide decisive structural information, and to present the research perspectives in my new role as the Head of Division 5.6 – Glass at BAM. T2 - Fachausschusses I „Physik und Chemie des Glases“, DGG CY - Jena, Germany DA - 02.11.2023 KW - Structure-property correlation KW - Fluoride phosphate glasses KW - Scintillators KW - High energy radiation PY - 2024 AN - OPUS4-60360 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - de Camargo, Andrea Simone Stucchi T1 - Luminescent multifunctional nanostructures for sensing and theranostics applications N2 - An overview of the work carried out at LEMAF - Laboratory of Spectroscopy of Functional Materials at IFSC/USP was given. The work presented focus on the design, production and functional characterization of multifunctional nanoparticles. T2 - NANOANDES - Latin American School on Nanomaterials and Appllications CY - Araraquara, SP, Brazil DA - 10.10.2023 KW - Multifunctional nanoparticles KW - Upconversion nanoparticles KW - Quantum dots KW - Noble metal nanoparticles PY - 2023 AN - OPUS4-60363 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - de Camargo, Andrea Simone Stucchi T1 - Luminescent multifunctional nanostructures for sensing and theranostics applications N2 - The research carried out at the Laboratory of Spectroscopy of Functional Materials at IFSC/USP, in Brazil, is focused on the synthesis and structural-property correlation of luminescent materials including rare-earth (RE) doped glasses, ceramics and hybrid host-guest materials. For the past five years, we have been particularly interested in the development of single- and multifunctional nanosystems based on core-shell upconversion nanoparticles (UCNP) associated with dyes, organometallic complexes and other organic molecules, for biophotonic and sensing applications. In these systems, we take advantage of energy transfer between the UCNPs and the molecules to either supress or enhance luminescent response. Examples include the possibility of bioimaging and photodynamic therapy of bacteria and cancer cells, simultaneous magnetothermia and thermometry, localized O2 sensing, fast detection and quantification of biological markers (e.g. kidney disease) and microorganisms. On what concerns the development of luminescent sensors - a recently started project, our aim is to develop paper-based platforms for point-of-care devices. In this presentation, an overview of our contributions for the past years and our future aims will be presented with several examples. T2 - ICL2023 - 20th International Conference on Luminescence CY - Paris, France DA - 27.08.2023 KW - Upconversion KW - Sensing KW - Theranostics KW - Nanoparticles KW - Photodynamic therapy PY - 2023 AN - OPUS4-60362 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - de Camargo, Andrea Simone Stucchi T1 - Optical properties of dental ceramics: Characterization via UV-Vis and photoluminescence spectroscopies N2 - When it comes to dental treatments, success is not only measured by attained functionality but, to a large extent, the associated aesthetics. This can become challenging for certain restorations and implants due to the complex optical characteristic of a tooth, which reflects, absorbs, diffuses, transmits, and even emits light. Thus, to get acceptable aesthetic results, favourable shade matching of ceramic restorations and implants should be achieved by strict control of optical response, which translates into a materials design question. Optical response is affected by several factors such as the composition, crystalline content, porosity, additives, grain size and the angle of incidence of light on the dental ceramics. The properties to be characterized are colour (and its stability), translucency, opalescence, refractive index, and fluorescence. Several techniques can be applied for the characterization of these properties and in this presentation, an overview will be given. Moreover, particular emphasis will be given on the capacitation of less familiarized public to UV-Vis absorption and photoluminescence (PLE) spectroscopies that are versatile and widely employed for functional and structural characterization of glasses and glass ceramic materials. T2 - 2nd BAYLAT Workshop of CERTEV - FAU CY - Nuremberg, Germany DA - 04.12.2023 KW - Optical properties KW - Dental ceramics KW - Optical spectroscopy PY - 2023 AN - OPUS4-60364 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Darvishi Kamachali, Reza A1 - Wang, Lei A1 - Lin, L. L. A1 - Manzoni, Anna Maria A1 - Skrotzki, Birgit A1 - Thompson, G. B. T1 - CALPHAD-informed density-based grain boundary thermodynamics N2 - The Gibbs free energy of a grain boundary is a complex thermodynamic function of temperature, pressure, and composition. These complexities add to the intrinsic crystallographic and chemical constraints imposed by the adjacent bulk phase. Recently we have proposed a density-based model for assessing grain boundary thermodynamics that enables a CALPHAD-informed description of the grain boundary. As such, the Gibbs free energy of the grain boundary is directly linked with available CALPHAD thermodynamic data. In this talk, new aspects of interfacial segregation and phase transformation are revealed by benchmarking the current model for various experimental cases, including several steels, high-entropy alloys and aluminum alloys. The effects of elastic interactions on the grain boundary segregation and the application of the model to a nanocrystalline Pt-Au alloy, with numerous grain boundaries of various characters, will be discussed. T2 - DPG (Deutsche Physiker Gesellschaft) CY - Online meeting DA - 27.09.2021 KW - Density-based model KW - Defects thermodynamics KW - Defects phase diagram KW - CALPHAD KW - Crystal Defects PY - 2021 AN - OPUS4-53556 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Darvishi Kamachali, Reza A1 - Wallis, Theophilius A1 - Ikeda, Yuki A1 - Saikia, U. A1 - Ahmadian, A. A1 - Liebscher, C. A1 - Hickel, Tilmann A1 - Maaß, Robert T1 - Giant segregation transition as origin of liquid metal embrittlement in the Fe-Zn system N2 - A giant Zn segregation transition is revealed using CALPHAD-integrated density-based modeling of segregation into Fe grain boundaries (GBs). The results show that above a threshold of only a few atomic percent Zn in the alloy, a substantial amount of up to 60 at.% Zn can segregate to the GB. We found that the amount of segregation abruptly increases with decreasing temperature, while the Zn content in the alloy required for triggering the segregation transition decreases. Direct evidence of the Zn segregation transition is obtained using high-resolution scanning transmission electron microscopy. Base on the model, we trace the origin of the segregation transition back to the low cohesive energy of Zn and a miscibility gap in Fe-Zn GB, arising from the magnetic ordering effect, which is confirmed by ab-initio calculations. We also show that the massive Zn segregation resulting from the segregation transition greatly assists with liquid wetting and reduces the work of separation along the GB. The current predictions suggest that control over Zn segregation, by both alloy design and optimizing the galvanization and welding processes, may offer preventive strategies against liquid metal embrittlement. KW - CALPHAD KW - Microstructure Design KW - Grain boundary engineering KW - Steels KW - Density-based Model KW - Segregation Engineering PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-584292 DO - https://doi.org/10.1016/j.scriptamat.2023.115758 SN - 1359-6462 SN - 1872-8456 VL - 238 SP - 1 EP - 5 PB - Elsevier CY - Amsterdam AN - OPUS4-58429 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Darvishi Kamachali, Reza T1 - Co-segregation phenomena and stability issues in high-entropy alloys using density-based phase-field modelling N2 - Several recent studies have revealed that the phase decomposition in medium- and high-entropy alloys is triggered by solute segregation at grain boundaries. The chemically complex nature of these alloys already clues that such segregation in materials should be something more than the interaction between solutes and grain boundary, but also affected by the solute-solute interactions during the segregation. In fact, experiments indicate the significance of such solute-solute interaction. Yet, the mechanisms of co-segregation in multi-component alloys are rather challenging to explore and rarely studied quantitatively. Recently, a CALPHAD-integrated density-based phase-field model has been proposed for studying grain boundary phenomena. Several applications of this model have shown its expansive capacity for investigating grain boundary segregation and phase behavior. In this talk, the applications of this model to studying co-segregation phenomena and grain boundary phase diagrams in multi-component alloys are presented ––the term ‘co-segregation’ here refers to co-evolution and any mutual interplay among the solutes and grain boundary during the segregation. In particular, the iron-based ternary and quaternary alloys are discussed. I show how a grain boundary may have its own miscibility gap and how this immiscibility can influence the co-segregation behavior. As an alternative to grain boundary phase diagrams, rather suited for binary and ternary alloys, a new concept of co-segregation maps for screening and segregation design in multi-component alloys is presented. Applying the co-segregation maps, the nonlinear Mn and Cr co-segregation in Fe-Co-Mn-Cr is discussed. T2 - 19th International Conference on Diffusion in Solids and Liquids (DSL-2023) CY - Crete, Greece DA - 26.06.2023 KW - CALPHAD KW - Co-segregation KW - Phase-field Simulation PY - 2023 AN - OPUS4-57965 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Darvishi Kamachali, Reza A1 - Rockenhäuser, Christian A1 - Saxena, A. A1 - Skrotzki, Birgit A1 - Umer Bilal, M. A1 - Ramirez, Daniela Valencia A1 - Schwarze, C. A1 - Häusler, I. T1 - Chemo-mechanical Coupling Effect During Precipitation in AlLi and AlLiCu systems N2 - The chemo-mechanical coupling effect during precipitation in AlLi and AlLiCu systems is presented and effects of chemo-mechanical coupling on materials with different microstructures is discussed. The results of the simulations are then compared to electron-microscopical investigations. T2 - Plenary meeting DFG Priority program 1713 ("Chemomechanics") CY - Bochum, Germany DA - 17.12.2018 KW - Al-Li alloys KW - Phase field simulation KW - Precipitation KW - Inverse ostwald ripening KW - Transmission electron microscopy PY - 2018 AN - OPUS4-46961 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Darvishi Kamachali, Reza T1 - Interfacial Spinodals N2 - Despite their finite spatial extent, interfaces can have profound impacts on microstructure properties. This is because of their distinct phase-like properties distinguishing them from the adjacent homogeneous bulk structure. When noticed by solute atoms, interfaces can experience their own chemical phase changes. In this talk, we investigate the constrained states of chemically decomposed phases at interfaces. A density-based theory of interfaces is proposed to describe the confined chemical decomposition at general grain boundaries. Here the grain boundary is viewed as a lesser dense, defected structure with reference to the corresponding bulk structure. Using this picture, the thermodynamic origins of interfacial spinodal phenomena are revealed. We also show that transient interfacial spinodals can be activated over a large alloy composition range, enabling kinetic engineering of interfacial chemistry. T2 - TMS 2021 CY - Online meeting DA - 15.03.2021 KW - Microstrucrue Design KW - Spinodal Decomposition KW - Interfacial Spinodal PY - 2021 AN - OPUS4-52338 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Darvishi Kamachali, Reza T1 - Grain Boundary Segregation Design using CALPHAD-integrated Phase-Field Modelling N2 - A main source of current challenges in materials science and engineering is the ever-increasing complexity in materials chemistry and processing resulting in complex microstructures, making the assessment of process-microstructure-property-performance relations difficult, even unmanageable. Here the computational materials science is facing the same situation. In this talk, I share a viewpoint that the complexities in chemistry, processing and microstructures can be circumscribed by integrating existing knowledges of bulk thermodynamics and kinetics to the unknown thermodynamics and kinetics of microstructure elements. To this end, I discuss several successful examples on grain boundary segregation engineering how this scientific advance can be conducted. A roadmap is proposed, beginning to form on generalizing the concept of phase diagrams. T2 - ICAMS Advance Discussions: Advanced models for microstructure evolution – process-microstructure-property relationships CY - Bochum, Germany DA - 26.10.2022 KW - Microstructure Design KW - CALPHAD KW - Phase-Field Simulations KW - Machine Learning KW - Phase Diagrams PY - 2022 AN - OPUS4-56348 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Darvishi Kamachali, Reza T1 - CALPHAD integrated density-based phase diagrams and opening possibilities for grain boundary engineering N2 - Engineering grain boundaries demands a quantitative description of both their segregation and specific phase behavior. Recently I have proposed a density-based model for grain boundary thermodynamics that enables CALPHAD integrated derivation of grain boundary phase diagrams, broadly applied now in studying various alloys. Combining this model with experimental investigations, in this talk, new aspects of interfacial segregation and phase transformation revealed in polycrystalline alloys are discussed. The effect of elastic interaction on grain boundary phase behavior is incorporated. We consider Al alloys and novel high-entropy alloys and discuss a general strategy for grain boundary engineering. T2 - 18th Discussion Meeting on Thermodynamics of Alloys (TOFA) CY - Krakow, Poland DA - 12.09.2022 KW - CALPHAD KW - Microstructure Design KW - Materials Modelling PY - 2022 AN - OPUS4-56044 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Darvishi Kamachali, Reza T1 - Melting upon Coalescence of Solid Nanoparticles N2 - The large surface-to-volume ratio of nanoparticles is understood to be the source of many interesting phenomena. The melting temperature of nanoparticles is shown to dramatically reduce compared to bulk material. Yet, at temperatures below this reduced melting point, a liquid-like atomic arrangement on the surface of nanoparticles is still anticipated to influence its properties. To understand such surface effects, here, we study the coalescence of Au nanoparticles of various sizes using molecular dynamics simulations. Analysis of the potential energy and Lindemann index distribution across the nanoparticles reveals that high-energy, high-mobility surface atoms can enable the coalescence of nanoparticles at temperatures much lower than their corresponding melting point. The smaller the nanoparticles, the larger the difference between their melting and coalescence temperatures. For small enough particles and/or elevated enough temperatures, we found that the coalescence leads to a melting transition of the two nominally solid nanoparticles, here discussed in relation to the heat released due to the surface reduction upon the coalescence and the size dependence of latent heat. Such discontinuous melting transitions can lead to abrupt changes in the properties of nanoparticles, important for their applications at intermediate temperatures. KW - Nanoparticles KW - Molecular Dynamics KW - Surface-induced Melting PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-552183 DO - https://doi.org/10.3390/solids3020025 VL - 3 IS - 2 SP - 361 EP - 373 PB - MDPI AN - OPUS4-55218 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - da Costa, P. F. G. M. A1 - Merízio, L. G. A1 - Wolff, N. A1 - Terraschke, H. A1 - de Camargo, Andrea Simone Stucchi T1 - Real-time monitoring of CdTe quantum dots growth in aqueous solution N2 - Quantum dots (QDs) are remarkable semiconductor nanoparticles, whose optical properties are strongly size-dependent. Therefore, the real-time monitoring of crystal growth pathway during synthesis gives an excellent opportunity to a smart design of the QDs luminescence. In this work, we present a new approach for monitoring the formation of QDs in aqueous solution up to 90 °C, through in situ luminescence analysis, using CdTe as a model system. This technique allows a detailed examination of the evolution of their light emission. In contrast to in situ absorbance analysis, the in situ luminescence measurements in reflection geometry are particularly advantageous once they are not hindered by the concentration increase of the colloidal suspension. The synthesized particles were additionally characterized using X-ray diffraction analysis, transition electron microscopy, UV-Vis absorption and infrared spectroscopy. The infrared spectra showed that 3-mercaptopropionic acid (MPA)-based thiols are covalently bound on the surface of QDs and microscopy revealed the formation of CdS. Setting a total of 3 h of reaction time, for instance, the QDs synthesized at 70, 80 and 90 °C exhibit emission maxima centered at 550, 600 and 655 nm. The in situ monitoring approach opens doors for a more precise achievement of the desired emission wavelength of QDs. KW - CdTe quantum dots KW - In situ synthesis KW - Real time growth control PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-603596 DO - https://doi.org/10.1038/s41598-024-57810-8 VL - 14 IS - 1 SP - 1 EP - 11 PB - Springer Science and Business Media LLC AN - OPUS4-60359 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CHAP A1 - Czichos, Horst A1 - Skrotzki, Birgit ED - Hennecke, Manfred ED - Skrotzki, Birgit T1 - Anforderungen, Eigenschaften und Verhalten von Werkstoffen N2 - Die Eigenschaften verschiedener Werkstoffe werden behandelt und typische Werkstoffkennwerte angegeben. Es werden Arten der Beanspruchung von Bauteilen und Werkstoffen vorgestellt, die diese in technischen Anwendungen unterworfen sind. Im Betrieb von Bauteilen kann Materialschädigung und unter Umständen auch Versagen eintreten. Mögliche Mechanismen und Ursachen werden erläutert und Einblicke in die Methodik der Schadensanalyse gegeben. KW - Beanspruchung KW - Werkstoffkennwerte KW - Mechanische Eigenschaften KW - Thermophysikalische Eigenschaften KW - Schadenskunde KW - Alterung KW - Bruch KW - Korrosion KW - Tribologie KW - Werkstoffauswahl PY - 2020 DO - https://doi.org/10.1007/978-3-662-57492-8_29-1 SP - 1 EP - 45 PB - Springer-Verlag GmbH Deutschland AN - OPUS4-51286 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Czediwoda, Fabian A1 - Fedelich, Bernard A1 - Stöhr, B. A1 - Göhler, T. A1 - Völkl, R. A1 - Nolze, Gert A1 - Glatzel, U. T1 - A numerical approach to model high-temperature creep behaviour of Ni-base superalloys from microstructural morphology to grain size scales N2 - A constitutive model for the mechanical behaviour of single crystal Ni-base superalloys under high temperature conditions has been developed in the framework of a Cooretec project in cooperation with Siemens AG, MTU Aero Engines AG and University Bayreuth. In addition to the conventional material properties e.g. elastic constants, the model requires the parameters of the initial microstructure as an input. Thus, the γ’-precipitate size and the channel width of the γ-matrix were obtained from SEM micrographs. The model uses the slip system theory and describes the movement, multiplication and annihilation of dislocations in the channels. Furthermore, the cutting of precipitates is another mechanism contributing to the plastic flow. The evolution of the morphology due to rafting and its effects on the deformation have been implemented according to. The kinematic hardening is introduced as a stress tensor to realistically represent the strain hardening of arbitrary oriented single crystals. The mechanical behaviour of single crystal specimens has been experimentally investigated in tension tests at different strain rates and in creep tests under various loads. The constitutive model has been calibrated based on the experimental data for temperatures of 950°C and 850°C and the [001] and [111] crystallographic orientations. Finally, a micromechanical model was created to simulate the creep response of additive manufactured polycrystalline structures. An EBSD image is taken to obtain the grain geometry and their respective orientation. The grain boundaries are discretised using cohesive elements, whereas the single crystal model was applied to each grain in the representative volume. The polycrystal model is generated using Dream3D, NetGen and other software previously developed at the BAM. T2 - 6th European Conference on Computational Mechanics (ECCM 6) CY - Glasgow, UK DA - 11.06.2018 KW - Nickel-base superalloy KW - Creep KW - Rafting KW - Viscoplasticity KW - EBSD KW - Grain boundaries PY - 2018 AN - OPUS4-46973 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Cysne Barbosa, Ana Paula A1 - Azevedo do Nascimento, Allana A1 - Pavasarytė, Lina A1 - Trappe, Volker A1 - Melo, D. T1 - Effect of addition of thermoplastic self-healing agent on fracture toughness of epoxy N2 - Self-healing agents have the potential to restore mechanical properties and extend service life of composite materials. Thermoplastic healing agents have been extensively investigated for this purpose in epoxy matrix composites due to their strong adhesion to epoxy and their ability to fill in microcracks. One of the most investigated thermoplastic additives for this purpose is poly(ethylene-co-methacrylic acid) (EMAA). Despite the ability of thermoplastic healing agents to restore mechanical properties, it is important to assess how the addition of thermoplastic healing agents affect properties of the original epoxy material. In this work, EMAA was added to epoxy resin and the effect of the additive on fracture toughness of epoxy was evaluated. Results indicate that although added in low concentrations, EMAA can affect fracture toughness. T2 - 6th Brazilian Conference on Composite Materials CY - Tiradentes, Minas Gerais, Brazil DA - 14.08.2022 KW - Epoxy KW - Self-healing KW - Thermoplastic KW - Fracture PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-572707 SN - 978-65-00-49386-3 DO - https://doi.org/10.29327/566492 SN - 2316-1337 SP - 219 EP - 222 AN - OPUS4-57270 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Croteau, Jean-Francois A1 - Pai Kulyadi, E. A1 - Agudo Jácome, Leonardo A1 - Kale, C. A1 - García-Tabarés Valdivieso, E. A1 - Perez Fontenla, A. T. A1 - Siu, D. A1 - Kang, D. A1 - Eisenlohr, P. A1 - Bieler, T. R. A1 - Solanki, K. N. A1 - Manzoni, Anna Maria A1 - Atieh, S. A1 - Balint, D. A1 - Hooper, P. A1 - Jacques, N. A1 - Cantergiani, E. T1 - Electro-hydraulic forming of SRF cavities: Effect of strain rate on niobium single crystals N2 - An investigation of the dislocation substructure and mechanical properties of high-purity niobium single crystals with different initial crystal orientations deformed in tension at strain rates of 10^{-4} to 10^3 s^{-1} is presented. Specimens were cut from a large grain niobium disk used for the manufacturing of SRF cavities. Different crystallographic tensile directions exhibited significantly different softening and hardening behaviors and elongation at fracture. Such anisotropy is reduced at high strain rates. Also, different dislocation substructures were observed with TEM at low and high strain rates. At low strain rates, dislocation cells with a high density of long dislocations were observed. At high strain rates, homogeneously distributed dislocations with a higher dislocation dipole density were observed. The relationship between the differences in dislocation substructures and mechanical properties at low and high strain rates and the potential effects on the superconducting properties are discussed. T2 - 2021 International Conference on RF Superconductivity (SRF'21) CY - Online meeting DA - 28.06.2021 KW - Dislocation substructure KW - Strain rate dependence KW - Transmission electron microscopy (TEM) PY - 2021 UR - https://indico.frib.msu.edu/event/38/attachments/158/1089/TUPCAV012_poster.pdf AN - OPUS4-54540 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Cornelsen Sampaio Kling, I. A1 - Pauw, Brian Richard A1 - Jacome, Leonardo A. A1 - Archanjo, B. S. A1 - Simão, R. A. T1 - Development and characterization of starch film and the incorporation of silver nanoparticles N2 - Starch is one of the biopolymers being used for bioplastic synthesis. For production, starch can be combined with different plasticizers, starches from different plant sources and even with nanomaterials to improve or to add film properties. The challenge of adding these, e.g. in the form of silver nanoparticles (AgNp) is to determine the concentration so as to avoid impairing the properties of the film, agglomeration or altering the visual characteristics of the film. In this study, a starch film synthesis route and the incorporation of silver nanoparticles has been proposed in order not to alter the properties of the film while maintaining the transparency and a clear colour of the starch film. The results showed that the proposed synthesis route is promising, efficient, reproducible, fast and the film has good mechanical properties. T2 - Semana MetalMat & Painal PEMM 2020 CY - Online meeting DA - 23.11.2020 KW - Biofilm KW - Silver nanoparticle KW - Starch KW - Starch nanoparticle PY - 2020 SP - 1 EP - 2 AN - OPUS4-51940 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Chinellato, Fabio A1 - Wilbig, Janka A1 - Al-Sabbagh, Dominik A1 - Colombo, P. A1 - Günster, Jens T1 - Gas flow assisted powder deposition for enhanced flowability of fine powders: 3D printing of alpha-tricalcium phosphate N2 - The possibility of creating patient-specific individual implants makes Additive Manufacturing technologies of special interest for the medical sector. For substitution of bone defects, powder based Additive Manufacturing by Binder Jetting is a suitable method to produce complex scaffold-like structures made of bioceramics with easily adapted geometries and controlled porosity. The process inherent residual porosity in the printed part, even though desired as it supports bone ingrowth, also leads to limited mechanical strength. Currently, bioceramic scaffolds made by Binder Jetting feature suitable biocompatible and biodegradable properties, while a sufficient mechanical stability is rather challenging. The purpose of this work is to apply the gas flow assisted powder deposition introduced in 2014 by Zocca et al., to the powder bed during printing of bioceramic tablets and scaffolds using α-TCP powder as feedstock. This enables exploiting the advantages of an increased powder bed density, thereby improving the mechanical properties of the printed parts. KW - Additive Manufacturing KW - Binder Jetting KW - Gas flow assisted powder deposition KW - Alpha-tricalcium phosphate KW - Scaffold PY - 2020 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-510138 DO - https://doi.org/10.1016/j.oceram.2020.100003 SN - 2666-5395 VL - 1 SP - 100003 PB - Elsevier Ltd. AN - OPUS4-51013 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Chen, Yue A1 - Schilling, Markus A1 - von Hartrott, P. A1 - Huschka, M. A1 - Olbricht, Jürgen A1 - Pirskawetz, Stephan A1 - Skrotzki, Birgit A1 - Hanke, T. A1 - Todor, A. T1 - Ontopanel: a diagrams.net plugin for graphical semantic modelling N2 - Ontologies that represent a map of the concepts and relationships between them, are becoming an effective solution for data standardization and integration of different resources in the field of materials science, as efficient data storage and management is the building block of material digitization. However, building a domain ontology is not a simple task. It requires not only a collaborative effort between ontologists and domain experts, but also the modeling approaches and tools play a key role in the process. Among all approaches, graphical representation of domain ontologies based on standard conceptual modeling languages is widely used because of its intuitiveness and simplicity. Various tools have been developed to realize this approach in an intuitive way, such as Protégé plugins and web visualization tools. The Materials-open-Lab (MatOLab) project, which aims to develop ontologies and workflows in accordance with testing standards for the materials science and engineering domains, adopted a UML (Unified Modeling Language) approach based on the diagrams.net. It is a powerful, popular, open-source graphical editor. In practical case studies, however, many users’ needs could not be met, such as reusing ontology, conversion, and data mapping. Users must switch between different tools to achieve a certain step, and thereby invariably increase learning cost. The lack of validation also leads to incorrect diagrams and results for users who are not familiar with the ontology rules. To address these issues, we designed Ontopanel, a diagrams.net-based plugin that includes a set of pipeline tools for semantic modeling: importing and displaying protégé-like ontologies, converting diagrams to OWL, validating diagrams by OWL rules, and mapping data. It uses diagrams.net as the front-end for method modeling and Django as the back-end for data processing. As a web-based tool, it is very easy to expand its functionality to meet changing practical needs. T2 - MSE 2022 CY - Darmstadt, Germany DA - 27.09.2022 KW - Ontology KW - Tools KW - Material digital KW - Mat-o-lab KW - Graphic design KW - Ontology development KW - Data mapping KW - FAIR KW - Materials testing PY - 2022 AN - OPUS4-55884 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -