TY - CONF A1 - Ávila Calderón, Luis T1 - Creep and fracture behavior of conventionally and additively manufactured stainless steel 316L N2 - A critical task within the frame of establishing process-structure-property-performance relationships in additive manufacturing (AM) of metals is producing reliable and well-documented material behavior’s data and knowledge regarding the structure-property correlation, including the role of defects. After all, it represents the basis for developing more targeted process optimizations and more reliable predictions of performance in the future. Within this context, this contribution aims to close the actual gap of limited historical data and knowledge concerning the creep behavior of the widely used austenitic stainless steel 316L, manufactured by Laser-Powder-Bed-Fusion (L-PBF). To address this objective, specimens from conventional hot-rolled and AM material were tested under application-relevant conditions according to existing standards for conventional material, and microstructurally characterized before and after failure. The test specimens were machined from single blocks from the AM material. The blocks were manufactured using a standard scan and build-up strategy and were subsequently heat-treated. The creep behavior is described and comparatively assessed based on the creep lifetime and selected creep curves and characteristic values. The effect of defects and microstructure on the material’s behavior is analyzed based on destructive and non-destructive evaluations on selected specimens. The AM material shows shorter creep lives, reaches the secondary creep stage much faster and at a lower strain, and features lower creep ductility compared to its conventional counterpart. The creep damage behavior of the AM material is more microstructure than defect controlled and is characterized by the formation and accumulation of single intergranular damage along the whole volume. Critical features identified are the grain morphology and the grain-boundary as well as the dislocation’s density. Micro-computed tomography (µCT) proves to be an alternative to metallography to analyze the creep damage. T2 - ASTM International Conference on Additive Manufacturing 2020 CY - Online meeting DA - 16.11.2020 KW - 316L KW - Creep behavior KW - Laser powder bed fusion KW - Additive manufacturing KW - Microstructure PY - 2020 AN - OPUS4-51823 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Ávila Calderón, Luis T1 - Assessing the low cycle fatigue behaviour of additively manufactured Ti-6Al-4V: Challenges and first results N2 - The understanding of process-microstructure-property-performance (PMPP) relationships in additive manufacturing (AM) of metals is highly necessary to achieve wide-spread industrial application and replace conventionally manufactured parts, especially regarding safety-relevant applications. To achieve this understanding, reliable data and knowledge regarding material’s microstructure-property relationships (e.g. the role of defects) is needed, since it represents the base for future more targeted process optimizations and more reliable calculations of performance. However, producing reliable material data and assessing the AM material behaviour is not an easy task: big challenges are e.g. the actual lack of standard testing methods for AM materials and the occasional difficulties in finding one-to-one comparable material data for the conventional counterpart. This work aims to contribute to end this lack of reliable material data and knowledge for the low cycle fatigue behaviour of the most used titanium alloy in aerospace applications (Ti-6Al-4V). For this purpose, two sets of test specimens were investigated. The first set was manufactured from cylindrical rods produced by an optimized DED-L process and the second was manufactured from a hot formed round bar. The test specimens were cyclically loaded until failure in the low-cycle-fatigue (LCF) regime. The tests were carried out according to ISO 12106 between 0.3 to 1.0 % axial strain amplitude from room temperature up to 400°C. The LCF behaviour is described and compared between materials and with literature values based on cyclic deformation curves and strain-based fatigue life curves. Besides, the parameters of Manson-Coffin-Basquin relationship were calculated. The microstructures (initial and after failure) and fracture surfaces were comparative characterized. Thereby, the focus lied on understanding the role of grain morphology and defects on the failure mechanisms and fatigue lifetimes. For this latter characterization, optical microscopy (OM), scanning electron microscopy (SEM) and micro computed tomography (µCT) were used. T2 - 4th International Symposium on Fatigue Design and Material Defects CY - Online meeting DA - 26.05.2020 KW - Ti-6Al-4V KW - Additive manufacturing KW - Low cycle fatigue KW - Micro computed tomography KW - Microstructure PY - 2020 AN - OPUS4-50893 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 - THES A1 - Jürgens, Maria T1 - Verhalten des hochwarmfesten Stahles P92 unter zyklischen thermo-mechanischen Bedingungen in lastflexiblen Dampfkraftwerken N2 - Die Erzeugung von Erneuerbaren Energien unterliegt starken Schwankungen, die von konventionellen Kraftwerken ausgeglichen werden müssen, um das Stromnetz stabil zu halten. Für die konventionellen Kraftwerke bedeutet dies eine zunehmend zyklische Fahrweise, die zu häufigeren Last- und Temperaturwechseln führt. Von den eingesetzten Werkstoffen fehlen Daten zum Verhalten unter zyklischer Fahrweise. Ziel dieser Arbeit ist es daher, für P92, einen als Rohrleitungswerkstoff eingesetzten hochwarmfesten Stahl, zu untersuchen, welche Auswirkungen zyklische Fahrweisen auf die Schädigungsprozesse und Lebensdauern haben. Da durch den zyklischen Betrieb eine verstärkte Schädigung durch Ermüdungsprozesse zu erwarten ist, wurden dehnungskontrollierte isotherme (LCF) und nicht-isotherme (TMF) Ermüdungsversuche mit und ohne Haltezeit bei verschiedenen Temperaturen bzw. Temperaturintervallen durchgeführt. Mit den Haltezeitversuchen soll dabei das Kriech-Ermüdungs-Verhalten untersucht werden. Bei den TMF-Versuchen wurde zusätzlich die Temperaturrate variiert, um näher an den realen Lastwechselgeschwindigkeiten zu prüfen. Schließlich wurden auf Basis der durchgeführten LCF- und TMF-Versuche betriebsnahe Versuchsprozeduren entwickelt, um unterschiedliche Betriebsmodi in einem Versuch abzubilden. Die durchgeführten mechanischen Versuche stellen eine umfangreiche Basis zu Ermüdungsdaten an P92 dar. Neben der Abhängigkeit der Lebensdauer von Temperatur, Temperaturintervall und –rate, sowie Dehnung und Haltezeit, konnte auch das Entfestigungsverhalten genauer charakterisiert werden. Sowohl Haltezeiten als auch das Reduzieren der Temperaturrate können die Lebensdauer erheblich verringern. Dabei kommt es gerade bei vermeintlich kleinen Dehnungen, bei denen die Streckgrenze nur leicht überschritten wird, zu einer Lebensdauerreduzierung. Haltezeiten verstärken zudem die zyklische Entfestigung. Die fraktographische Analyse der Proben hat ergeben, dass es keinen direkten Zusammenhang zwischen der Entfestigung und der Bildung von Nebenrissen gibt. Stattdessen zeigen EBSD- und TEM-Untersuchungen, dass es zur Bildung einer Subkornstruktur kommt und die Entfestigung auf dem Verschwinden von Kleinwinkelkorngrenzen beruht. Während bei den LCF-Proben eine reine Ermüdungsschädigung vorliegt, konnte bei einigen TMF-Proben eine kriechdominierende Schädigung nachgewiesen werden. Die betriebsnahen Zyklen zeigen, dass sich mit den durchgeführten Versuchen das reale Betriebsverhalten gut abschätzen lässt. Da es jedoch auch Parameterkombinationen gibt, bei denen keine Änderung des Entfestigungs- und Lebensdauerverhaltens auftritt, sollte genau bekannt sein, welche Belastungen in einem Bauteil auftreten. KW - P92 KW - LCF KW - TMF KW - Energiewende KW - Kriechermüdung KW - Energy transition KW - Creep-fatigue PY - 2020 DO - https://doi.org/10.14279/depositonce-10538 SP - 1 EP - 144 CY - Berlin AN - OPUS4-51571 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Li, L. A1 - Darvishi Kamachali, Reza A1 - Li, Z. A1 - Zhang, Z. T1 - Grain boundary energy effect on grain boundary segregation in an equiatomic high-entropy alloy N2 - Grain boundary (GB) Segregation has a substantial effect on the microstructure evolution and properties of polycrystalline alloys. The mechanism of nanoscale segregation at the various GBs in multicomponent alloys is of great challenge to reveal and remains elusive so far. To address this issue, we studied the GB segregation in a representative equiatomic FeMnNiCoCr high-entropy alloy (HEA) aged at 450 °C. By combining transmission Kikuchi diffraction, atom probe tomography analysis and a density-based thermodynamics modeling, we uncover the nanoscale segregation behavior at a series of well-characterized GBs of different characters. No segregation occurs at coherent twin boundaries; only slight nanoscale segregation of Ni takes place at the low-angle GBs and vicinal \Sigma 29b coincidence site lattice GBs. Ni and Mn show cosegregation of high levels at the general high-angle GBs with a strong depletion in Fe, Cr, and Co. Our density-based thermodynamic model reveals that the highly negative energy of mixing Ni and Mn is the main driving force for nanoscale cosegregation to the GBs. This is further assisted by the opposite segregation of Ni and Cr atoms with a positive enthalpy of mixing. It is also found that GBs of higher interfacial energy, possessing lower atomic densities (higher disorder and free volume), show higher segregation levels. By clarifying the origins of GB segregations in the FeMnNiCoCr HEA, the current work provides fundamental ideas on nanoscale segregation at crystal defects in multicomponent alloys. KW - Thermodynamics KW - High-Entropy Alloys KW - Grain Boundary Segregation PY - 2020 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-508827 DO - https://doi.org/10.1103/PhysRevMaterials.4.053603 VL - 4 IS - 5 SP - 053603 PB - American Physical Society AN - OPUS4-50882 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Darvishi Kamachali, Reza A1 - da Silva, A. A1 - McEniry, E. A1 - Gault, B. A1 - Neugebauer, J. A1 - Raabe, D. T1 - Segregation-assisted spinodal and transient spinodal phase separation at grain boundaries N2 - Segregation to grain boundaries affects their cohesion, corrosion, and embrittlement and plays a critical role in heterogeneous nucleation. In order to quantitatively study segregation and low-dimensional phase separation at grain boundaries, here, we apply a density-based phase-field model. The current model describes the grain-boundary thermodynamic properties based on available bulk thermodynamic data, while the grain-boundary-density profile is obtained using atomistic simulations. To benchmark the performance of the model, Mn grain-boundary segregation in the Fe–Mn system is studied. 3D simulation results are compared against atom probe tomography measurements conducted for three alloy compositions. We show that a continuous increase in the alloy composition results in a discontinuous jump in the segregation isotherm. The jump corresponds to a spinodal Phase separation at grain boundary. For alloy compositions above the jump, we reveal an interfacial transient spinodal phase separation. The transient spinodal phenomenon opens opportunities for knowledge-based microstructure design through the chemical manipulation of grain boundaries. The proposed density-based model provides a powerful tool to study thermodynamics and kinetics of segregation and phase changes at grain boundaries. KW - Grain Boundary Spinodal KW - Densty-based Thermodynamics KW - Microstrucrue Design PY - 2020 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-519497 DO - https://doi.org/10.1038/s41524-020-00456-7 VL - 6 IS - 1 SP - 191 PB - Nature AN - OPUS4-51949 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Wang, Lei A1 - Hoyt, J. J. T1 - Layering misalignment and negative temperature dependence of interfacial free energy of B2-liquid interfaces in a glass forming system N2 - From molecular dynamics simulations and the capillary fluctuation method, the solid-liquid interfacial free energy has been computed for the B2-liquid interface in the Cu-Zr system. Consistent with previous results for the FCC-liquid interface in Cu-Zr and Al-Sm but atypical of most alloys, was found to increase as the temperature is lowered. In addition, the temperature dependence was obtained for model Lennard-Jones B2-liquid alloys. In all cases the unusual temperature dependence of is correlated with an atomic structure of the interfacial region characterized by a misalignment of the number density peaks between solvents and solutes. In cases where the number density peaks are aligned, the typical temperature dependence is observed. The results are discussed in terms of the Gibbs theory of the thermodynamics of interfaces. It is proposed that the unique interfacial structure and the atypical temperature dependence of are hallmarks of an easy glass forming alloy. KW - Atomistic simulations KW - Interfacial free energy KW - Layering misalignment KW - Glass forming PY - 2021 DO - https://doi.org/10.1016/j.actamat.2021.117259 SN - 1359-6454 VL - 219 SP - 117259 PB - Elsevier Ltd. AN - OPUS4-53650 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Schilling, Markus T1 - Tensile Test: From Standard to PMD Application Ontology N2 - Data analysis methods play an important role in both the experimental and simulation-based digital description of materials but have so far been poorly structured. The platform Material Digital (PMD) should contribute to a standardized description of data processing methods in materials research. The goal is the quality assurance of the processes and the output data, the acquisition and definition of their accuracy as well as the interoperability between applications. Therefore, application ontologies are created to explicitly describe processes and test methods. In this presentation, the first efforts in creating a tensile test application ontology in accordance with the ISO standard 6892-1:2019-11 are shown. Especially, the path of ontology development to be pursued based on standards was focused. T2 - Onboarding Workshop der Plattform Material Digital (PMD) CY - Online meeting DA - 13.04.2021 KW - Ontology KW - Platform MaterialDigital KW - PMD KW - Tensile Test KW - Normung KW - Standardization PY - 2021 AN - OPUS4-52425 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Charmi, Amir T1 - Mechanical anisotropy of LPBF 316L: a modeling approach N2 - The underlying cause of mechanical anisotropy in additively manufactured (AM) parts is not yet fully understood and has been attributed to several different factors like microstructural defects, residual stresses, melt pool boundaries, crystallographic and morphological textures. To better understand the main contributing factor to the mechanical anisotropy of AM stainless steel 316L, bulk specimens were fabricated via laser powder bed fusion (LPBF). Tensile specimens were machined from these AM bulk materials for three different inclinations relative to the build plate. Dynamic Young's modulus measurements and tensile tests were used to determine the mechanical anisotropy. Some tensile specimens were also subjected to residual stress measurement via neutron diffraction, porosity determination with X-ray micro-computed tomography, and texture analysis with electron backscatter diffraction (EBSD). A crystal plasticity model was used to analyze the elastic anisotropy and the anisotropic yield behavior of the AM specimens, and it was able to capture and predict the experimental behavior accurately. Overall, it was shown that the mechanical anisotropy of the tested specimens was mainly influenced by the crystallographic texture. T2 - 2. Online-Workshop "In-situ Monitoring and Microstructure Development in Additive Manufactured Alloys " CY - Online meeting DA - 20.04.2021 KW - Anisotropy KW - Crystal plasticity KW - Additive manufacturing PY - 2021 AN - OPUS4-52603 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Schilling, Markus T1 - Tensile Test Ontology used in Platform Material Digital (PMD) N2 - Data analysis methods play an important role in both the experimental and simulation-based digital description of materials but have so far been poorly structured. The platform Material Digital (PMD) is supposed to contribute to a standardized description of data processing methods in materials research. The goal is the quality assurance of the processes and the output data, the acquisition and definition of their accuracy as well as the interoperability between applications. Therefore, application ontologies are created to explicitly describe processes and test methods. In this presentation, the first efforts within the joint project PMD in creating a tensile test application ontology in accordance with the ISO standard 6892-1:2019-11 are shown. Especially, the path of ontology development to be pursued based on standards was focused. Furthermore, the presentation includes a live demonstration of queries possibly performed to query data that was uploaded in the PMD triple store. T2 - Online Workshop: An introduction to the semantic web and ontologies CY - Online meeting DA - 23.04.2021 KW - Ontology KW - Tensile Test KW - Platform Material Digital KW - PMD KW - Knowledge Graphs KW - Semantic Web PY - 2021 AN - OPUS4-52949 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Dub, S. A1 - Haftaoglu, Cetin A1 - Kindrachuk, Vitaliy T1 - Estimate of theoretical shear strength of C60 single crystal by nanoindentation N2 - The onset of plasticity in a single crystal C60 fullerite was investigated by nanoindentation on the (111) crystallographic plane. The transition from elastic to plastic deformation in a contact was observed as pop-in events on loading curves. The respective resolved shear stresses were computed for the octahedral slip systems ⟨011¯¯¯⟩{111}, supposing that their activation resulted in the onset of plasticity. A finite element analysis was applied, which reproduced the elastic loading until the first pop-in, using a realistic geometry of the Berkovich indenter blunt tip. The obtained estimate of the C60 theoretical shear strength was about 1/11 of the shear modulus on {111} planes. KW - Finite element analysis KW - Fullerite KW - Nanoindentation PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-523208 DO - https://doi.org/10.1007/s10853-021-05991-2 VL - 56 IS - 18 SP - 10905 EP - 10914 PB - Springer Nature AN - OPUS4-52320 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kindrachuk, Vitaliy A1 - Klunker, Andre T1 - Phase field modeling of Hertzian cone cracks under spherica indentation N2 - A phase field model of brittle fracture has been developed to simulate the Hertzian crack induced by penetration of a rigid sphere to an isotropic linear-elastic half-space. The fracture formation is regarded as a diffusive field variable, which is zero for the intact material and unity if there is a crack. Crack growth is assumed to be driven by a strain invariant. The numerical implementation is performed with the finite element method and an implicit time integration scheme. The mechanical equilibrium and the phase field equations are solved in a staggered manner, sequentially updating the displacement field and the phase field variable. Numerical examples demonstrate the capability of the model to reproduce the nucleation and growth of the Hertzian cone crack. KW - Hertzian cracks KW - Phase field model KW - Contact mechanics PY - 2021 DO - https://doi.org/10.1007/s11223-021-00251-9 VL - 52 IS - 6 SP - 967 EP - 974 AN - OPUS4-52276 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Liu, M. A1 - Diercks, P. A1 - Manzoni, Anna Maria A1 - Čížek, J. A1 - Ramamurty, U. A1 - Banhart, J. T1 - Positron annihilation investigation of thermal cycling induced martensitic transformation in NiTi shape memory alloy N2 - Thermal cycling of a Ni-excess NiTi alloy was conducted between 50 °C and liquid nitrogen temperature to induce martensitic transformations and to reverse them after. The starting point was an annealed and slowly cooled state, the end point a sample thermally cycled 1500 times. Positron annihilation lifetime spectra and Coincidence Doppler Broadening profiles were obtained in various states and at various tem- peratures. It was found that the initial state was low in defects with positron lifetimes close to that of bulk NiTi. Cycling lead to a continuous build-up of a defect structure up to 20 0 −50 0 cycles after which saturation was reached. Two types of defects created during cycling were identified, namely pure dislo- cations and vacancies attached to dislocations. KW - Shape memory alloy KW - Thermal Cycling KW - Defects KW - Positron annihilation spectroscopy KW - Austenite-to-martensite phase transformation PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-533641 DO - https://doi.org/10.1016/j.actamat.2021.117298 VL - 220 SP - 117298 PB - Elsevier Ltd. AN - OPUS4-53364 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Manzoni, Anna Maria T1 - Tuning high entropy alloys towards superalloy applications N2 - The discovery of the high entropy concept at the beginning of the 3rd millennium lead to a worldwide increase in metallurgical research, as the possible element combinations seemed nearly endless and the range of applications wide. In the early years of research, one of the main goals was the discovery of a single-phase high entropy alloy. As research evolved, it was found that properties could be enhanced by opening the HE-concept towards multiphase alloys, and from the wide area of possibilities our group chose a tuning of the properties towards high temperature application. Compositionally complex Al10Co25Cr8Fe15Ni36Ti6 alloy, which is single-phase at high temperature, around 1200°C, shows a three phase morphology at intermediate temperatures, around 800°C. A high temperature homogenization procedure has to be applied in order to decrease the segregation induced by the dendritic growth. Subsequent annealing promotes the formation of the strengthening γ' precipitates. The alloy shows a positive lattice misfit between the γ and the γ' phase, which can be an indicator for good creep properties. The microstructure can be optimized by adding trace elements such as Mo and Hf, known as γ and γ' strengtheners in Ni-based superalloys, respectively. Atom probe measurements show that Mo segregates into the γ matrix, and Hf prefers the γ' precipitates, where it increases the lattice parameter and thus also the lattice misfit, by about 50%. The alloy family shows interesting mechanical properties, especially the Al9.5Co25Cr8Fe15Ni36Ti6Hf0,5 alloy – its tensile properties are better than those of commercial Alloy 800H and IN617 at temperatures up to 700°C. T2 - BAM Abteilungsseminar CY - Online meeting DA - 21.01.2021 KW - High entropy alloys KW - Compositionally complex alloys KW - Superalloys KW - Hochentropie-Legierung KW - Legierung mit komplexer Zusammensetzung KW - Superlegierung PY - 2021 AN - OPUS4-52442 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Schilling, Markus T1 - Ansätze zur digitalen Wissensrepräsentation aus der Plattform MaterialDigital (PMD) N2 - Die Digitalisierung von Materialien und Prozessen stellt eine große Herausforderung dar, die nur durch eine Bündelung der Bemühungen aller Beteiligten in diesem Bereich erreicht werden kann. Bei einer derartigen digitalen Beschreibung spielen Datenanalysemethoden, eine Qualitätssicherung von Prozessen inklusive Input- und Output-Daten sowie die Interoperabilität zwischen Anwendungen nach den FAIR-Prinzipien eine wichtige Rolle. Dies umfasst das Speichern, Verarbeiten und Abfragen von Daten in einer vorzugsweise standardisierten Form (Beteiligung von Normungsgremien). Zur Bewältigung dieser Herausforderung ist eine mit allen Stakeholdern konsistente Kontextualisierung der Materialdaten anzustreben, d.h. alle erforderlichen Informationen über den Zustand des Materials einschließlich produktions- und anwendungsbezogener Änderungen müssen über eine einheitliche, maschinenlesbare Beschreibung verfügbar gemacht werden. Dazu werden Wissensrepräsentationen und Konzeptualisierungen ermöglichende Ontologien verwendet. Eine zentrale Betrachtungsweise in diesem Zusammenhang ist die Realisierung von (automatisierten) Datenpipelines, die eine Beschreibung und Verfolgung von Daten ausgehend von ihrer Erzeugung, bspw. in einem Messgerät, bis zu ihrer globalen Verwendung in möglicherweise verschiedenen Kontexten beinhalten. Erste Bemühungen und Ansätze zu diesen Problemstellungen führten im Projekt Innovations-Plattform Material Digital (PMD, materialdigital.de) zur Erstellung von Anwendungsontologien, die Prozesse und Testmethoden explizit beschreiben. Dabei wurde u.a. der Zugversuch an Metallen bei Raumtemperatur nach ISO 6892-1 ontologisch beschrieben. Diese als Beispiel dienende Ontologieentwicklung wird in dieser Präsentation vorgestellt. Weiterhin wurde, ausgehend von der domänenspezifischen Entwicklung von Anwendungsontologien, eine Kernontologie erstellt, die eine übergeordnete Verbindung von ontologischen Konzepten aufgrund der Verwendung gleichen Vokabulars und semantischer Verknüpfungen erlaubt. Diese sowie die das PMD-Projekt selbst werden ebenfalls in dieser Präsentation vorgestellt. T2 - DVM Workshop: Grundlagen und Beispiele zur Digitalisierung für die Materialforschung und -prüfung CY - Online meeting DA - 19.10.2021 KW - Plattform Material Digital (PMD) KW - Ontologie KW - Zugversuch KW - Wissensrepräsentation KW - Semantic Web PY - 2021 AN - OPUS4-53565 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Schilling, Markus T1 - Towards digitalization of materials in PMD: An application ontology of the tensile test N2 - Due to the diversity of materials and the processes associated with their production and use, the complexity of the lifecycles of materials and the multitude of academic and industrial researchers participating in generation of data for material design impose a huge challenge. The topical goal of digitalizing materials and processes can only be adequately addressed by consolidating the efforts of all stakeholders in this field. There are many scattered activities, but there is a demand for an elimination of redundancies as well as an advance in acceptance and a common basis in the digitalization of materials. Furthermore, data analysis methods play an important role in both, the experimental and simulation-based digital description of materials, but they have been poorly structured so far. Therefore, the two joint projects Platform Material Digital (PMD, materialdigital.de) and Materials open Laboratory (Mat-o-Lab, matolab.de) aim to contribute to a standardized description of data processing methods in materials research. Besides stimulating the formation of a collaborative community in this respect, their main technical goals are the quality assurance of the processes and the output data, the acquisition and definition of their accuracy as well as the interoperability between applications. In this regard, data management in accordance with the FAIR (findability, accessibility, interoperability, reuseability) principles is addressed. There is a common agreement in the scientific community following current discussions that data is supposed to be conform to these principles. This includes storage, processing and querying of data in a preferably standardized form. To meet the challenge to contextualize material data in a way that is consistent with all stakeholders, all necessary information on the condition of the material including production and application-related changes have to be made available via a uniform, machine-readable description. For this purpose, ontologies are to be used since they allow for machine-understandable knowledge representations and conceptualizations that are needed for data management and the digitalization in the field of materials science. As first efforts in PMD and Mat-o-Lab, application ontologies are created to explicitly describe processes and test methods. Thereby, the well-known tensile test of metals at room temperature was described ontologically in accordance with the respective ISO standard 6892-1:2019-11. The efforts in creating this tensile test application ontology are shown in this presentation. Especially, the path of ontology development based on standards to be pursued is focused, which is in accordance with the generic recommendations for ontology development and which is supposed to be exemplary for the creation of other application ontologies. T2 - VirtMet: 1st International Workshop on Metrology for Virtual Measuring Instruments and Digital Twins CY - Online meeting DA - 21.09.2021 KW - Platform Material Digital (PMD) KW - Ontology KW - Tensile test KW - Standard KW - Ontology development PY - 2021 AN - OPUS4-53481 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Wang, Lei A1 - Darvishi Kamachali, Reza T1 - Incorporating elasticity into CALPHAD-informed density-based grain boundary phase diagrams reveals segregation transition in Al-Cu and Al-Cu-Mg alloys N2 - The phase-like behavior of grain boundaries (GBs), recently evidenced in several materials, is opening up new possibilities in the design of alloy microstructures. In this context, GB phase diagrams are contributing to a predictive description of GB segregation and (interfacial) phase changes. The influence of chemo-mechanical solute-GB interactions on the GB phase diagram remains elusive so far. This is particularly important for multi-component alloys where the elastic interactions among solute atoms, of various sizes and bonding energies, can prevail, governing a complex co-segregation phenomenon. Recently, we developed a density-based model for GB thermodynamics that intrinsically accounts for GB elasticity in pure elements. In this work, we incorporate the homogeneous and heterogeneous elastic energies associated with the solutes into the density-based framework. We derive the multi-component homogeneous elastic energy by generalizing the continuum misfitting sphere model and extend it for GBs. The density-based free energy functional directly uses bulk CALPHAD thermodynamic data. The model is applied to binary and ternary Al alloys. We reveal that the elastic energy can profoundly affect the GB solubility and segregation behavior, leading to Cu segregation in otherwise Cu-depleted Al GBs. Consequently, GB segregation transition, i.e., a jump in the GB segregation as a function of alloy composition, is revealed in Al-Cu and Al-Cu-Mg alloy systems with implications for subsequent GB precipitation in these alloys. CALPHAD-informed elasticity-incorporated GB phase diagrams enable addressing a broader range of GB phenomena in engineering multi-component alloys. KW - Grain boundary thermodynamics KW - Density-based model KW - Al alloys KW - Grain boundary phase diagram KW - CALPHAD KW - Elastic energy PY - 2021 DO - https://doi.org/10.1016/j.commatsci.2021.110717 VL - 199 SP - 110717 PB - Elsevier B.V. AN - OPUS4-53058 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Ganesh, Rahul T1 - Numerical calculation of ΔCTOD for thermomechanical fatigue crack growth N2 - The cyclic crack tip opening displacement ΔCTOD is a promising loading Parameter to quantify the crack propagation under thermomechanical fatigue (TMF). In this work, suitable techniques are investigated and compared for an accurate calculation of ΔCTOD under TMF loading using a viscoplastic temperature dependent material model. It turned out that collapsed special crack tip elements give the best results. An efficient FEM-technique is developed to simulate the incremental crack growth by successive remeshing, whereby the deformations and internal state variables are mapped from the old mesh onto the new one. The developed techniques are demonstrated and discussed for two-dimensional examples like TMF-specimens. Recommendations are made regarding important numerical control parameters like optimal size of crack tip elements, length of crack growth increment in relation to plastic zone size and ΔCTOD value. T2 - 53. Tagung des Arbeitskreises "Bruchmechanik und Bauteilsicherheit" CY - Online meeting DA - 18.02.2021 KW - Crack tip opening displacement KW - Thermomechanical fatigue KW - Crack growth PY - 2021 AN - OPUS4-52520 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Epishin, A. I. A1 - Fedelich, Bernard A1 - Viguier, B. A1 - Schriever, Sina A1 - Svetlov, I. L. A1 - Petrushin, N. V. A1 - Saillard, R. A1 - Proietti, A. A1 - Poquillon, D. A1 - Chyrkin, A. T1 - Creep of single-crystals of nickel-base γ-alloy at temperatures between 1150 °C and 1288 °C N2 - A γ-analogue of the superalloy CMSX-4 that does not contain the strengthening γ′ -phase and only consists of the γ-solid solution of nickel has been designed, solidified as single-crystals of different orientations, and tested under creep conditions in the temperature range between 1150 and 1288 °C. The tests have revealed a very high creep anisotropy of this alloy, as was previously found for CMSX-4 at supersolvus temperature of 1288 °C. This creep anisotropy could be explained by the dominance of 〈011〉{111} octahedral slip. Furthermore, the analysis of the creep data has yielded a high value of the creep activation energy, Qc≈442 kJ/mol, which correlates with the high activation energy of Re diffusion in Ni. This supports the hypothesis that dislocation motion in the γ-matrix of Re-containing superalloys is controlled by the diffusion of the Re atoms segregating at the dislocation core. The Norton stress exponent n is close to 5, which is a typical value for pure metals and their alloys. The absence of γ′ -reprecipitation after high-temperature creep tests facilitates microstructural investigations. It has been shown by EBSD that creep deformation results in an increasing misorientation of the existing low angle boundaries. In addition, according to TEM, new low angle boundaries appear due to reactions of the a/2 〈011〉 mobile dislocations and knitting of new networks. KW - Nickel alloys KW - Single-crystals KW - Creep KW - Electron microscopy KW - Deformation mechanisms PY - 2021 DO - https://doi.org/10.1016/j.msea.2021.141880 SN - 0921-5093 VL - 825 SP - 1 EP - 13 PB - Elsevier CY - Amsterdam AN - OPUS4-53132 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Wang, Lei A1 - Darvishi Kamachali, Reza T1 - Density-based Thermodynamics of Microstructure Defects N2 - Systematic microstructure design requires reliable thermodynamic descriptions and phase diagrams of each and all microstructure elements. While such descriptions are well established for most bulk phases, thermodynamic assessment of crystal defects is greatly challenged by their individualistic aspects. In this talk, we present a density-based thermodynamic concept to describe defects based on available bulk thermodynamic data. Here dealing with grain boundaries (GBs), we apply this concept to compute GB (phase) diagram. Applications to segregation engineering of GBs in bulk and nanocrystalline alloys will be presented. We further develop this model to include the effect of elastic interactions due to atom size mismatch and obtain the corresponding GB (phase) diagram for the ternary Al-Cu-Li system. T2 - TMS 2021 CY - Online meeting DA - 15.03.2021 KW - Microstrucrue Design KW - Density-based Thermodynamics PY - 2021 AN - OPUS4-52337 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -