5 Werkstofftechnik
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Simulation of the θ′ Precipitation Process with Interfacial Anisotropy Effects in Al-Cu Alloys
(2021)
The effects of anisotropic interfacial properties and heterogeneous elasticity on the growth and ripening of plate-like θ′-phase (Al2Cu) in Al-1.69 at.% Cu alloy are studied. Multi-phase-field simulations are conducted and discussed in comparison with aging experiments. The precipitate/matrix interface is considered to be anisotropic in terms of its energy and mobility. We find that the additional incorporation of an anisotropic interfacial mobility in conjunction with the elastic anisotropy result in substantially larger aspect ratios of the precipitates closer to the experimental observations. The anisotropy of the interfacial energy shows comparably small effect on the precipitate’s aspect ratio but changes the interface’s shape at the rim. The effect of the chemo-mechanical coupling, i.e., the composition dependence of the elastic constants, is studied as well. We show that the inverse ripening phenomenon, recently evidenced for δ’ precipitates in Al-Li alloys (Park et al. Sci. Rep. 2019, 9, 3981), does not establish for the θ′ precipitates. This is because of the anisotropic stress fields built around the θ′ precipitates, stemming from the precipitate’s shape and the interaction among different variants of the θ′ precipitate, that disturb the chemo-mechanical effects. These results show that the chemo-mechanical effects on the precipitation ripening strongly depend on the degree of sphericity and elastic isotropy of the precipitate and matrix phases.
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.
With an increasing demand in more efficient fuel consumption to reduce CO2 emissions, weight reductions in high-temperature materials at affordable costs gain increasing attention. One potential candidate is the intermetallic material class of iron aluminides, combining the advantages in mass savings, high temperature performance and recyclability of resources. The alloy Fe-26Al-4Mo-0.5Ti-1B was selected to study the microstructural features evolving from two casting processes, five wall thicknesses and three final conditions. Conclusions are drawn upon the correlations of processing variables, grain sizes and hardness.
Phase diagrams are the roadmaps for designing bulk phases. Similar to bulk, grain boundaries can possess various phases, but their phase diagrams remain largely unknown. Using a recently introduced density-based model, here we devise a strategy for computing multi-component grain boundary phase diagrams based on available bulk (CALPHAD) thermodynamic data. Fe-Mn-Cr, Fe-Mn-Ni, Fe-Mn-Co, Fe-Cr-Ni and Fe-Cr-Co alloy systems, as important ternary bases for several trending steels and high-entropy alloys, are studied. We found that despite its solute segregation enrichment, a grain boundary can have lower solubility limit than its corresponding bulk, promoting an interfacial chemical decomposition upon solute segregation. This is revealed here for the Fe-Mn-base alloy systems. The origins of this counter-intuitive feature are traced back to two effects, i.e., the magnetic ordering effect and the low cohesive energy of Mn solute element. Different aspects of interfacial phase stability and GB co-segregation in ternary alloys are investigated as well. We show that the concentration gradient energy contributions reduce segregation level but increase grain boundary solubility limit, stabilizing the GB against a chemical decomposition. Density-based grain boundary phase diagrams offer guidelines for systematic investigation of interfacial phase changes with applications to microstructure defects engineering.
The effectiveness of the mechanism of precipitation strengthening in metallic alloys depends on the shapes of the precipitates. Two different material systems are considered: tetragonal γ′′ precipitates in Ni-based alloys and tetragonal θ′ precipitates in Al-Cu-alloys. The shape formation and evolution of the tetragonally misfitting precipitates was investigated by means of experiments and phase-field simulations. We employed the method of invariant moments for the consistent shape quantification of precipitates obtained from the simulation as well as those obtained from the experiment. Two well-defined shape-quantities are proposed: (i) a generalized measure for the particles aspect ratio and (ii) the normalized λ2, as a measure for shape deviations from an ideal ellipse of the given aspect ratio. Considering the size dependence of the aspect ratio of γ′′ precipitates, we find good agreement between the simulation results and the experiment. Further, the precipitates’ in-plane shape is defined as the central 2D cut through the 3D particle in a plane normal to the tetragonal c-axes of the precipitate. The experimentally observed in-plane shapes of γ′′-precipitates can be quantitatively reproduced by the phase-field model.
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.
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.
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.
Manufacturing defects, high residual stress (RS), and microstructures affect the structural integrity of laser powder bed fusion (LPBF) Ti-6Al-4V. In this study, the individual effect of these factors on fatigue performance at elevated temperature (300 °C) was evaluated. Material in as-built condition and subjected to post-processing, including two heat treatments and hot isostatic pressing, was investigated. It was found that in the absence of tensile RS, the fatigue life at elevated temperature is primary controlled by the defects; and densification has a much stronger effect than the considered heat treatments on the improvement of the mechanical performance.
Results of an extended TMF test program on grade P92 steel in the temperature range of 620 °C - 300 °C, comprising in-phase (IP) and out-of-phase (OP) tests, partly performed with symmetric dwells at Tmax/Tmin, are presented. In contrast to previous studies, the low-strain regime is also illuminated, which approaches flexible operation in a power plant with start/stop cycles. At all strain amplitudes, the material performance is characterized by continuous cyclic softening, which is retarded in tests at lower strains but reaches similar magnitudes in the course of testing. In the investigated temperature range, the phase angle does not affect fatigue life in continuous experiments, whereas the IP condition is more detrimental in tests with dwells. Fractographic analyses indicate creep-dominated and fatigue-dominated damage for IP and OP, respectively. Analyses of the (micro)hardness distribution in the tested specimens suggest an enhanced microstructural softening in tests with dwell times for the low- but not for the high-strain regime. To rationalize the obtained fatigue data, the fracture-mechanics-based D_TMF concept, which was developed for TMF life assessment of ductile alloys, was applied. It is found that the D_TMF parameter correlates well with the measured fatigue lives, suggesting that subcritical growth of cracks (with sizes from a few microns to a few millimeters) governs failure in the investigated range of strain amplitudes.
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.
Interfacial Spinodals
(2021)
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.
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.
Initially, as-cast and homogenized single crystals of nickel-base superalloy CMSX-4 are subjected to hot isostatic pressing at 1288 °C. Two series of experiments are conducted: under the same pressure of 103 MPa but with different durations, between 0.5 and 6 h, and under different pressures, between 15 and 150 MPa, but for the same time of 0.5 h. The porosity annihilation is investigated metallographically and by high-resolution synchrotron X-ray tomography. The obtained experimental results are compared with the predictions of the vacancy model proposed recently in the group. Herein, the model is further refined by coupling with X-ray tomography. The model describes the evolution of the pore arrays enclosed in the 3D synchrotron tomograms during hot isostatic pressing and properly predicts the time and stress dependences of the pore annihilation kinetics. The validated model and the obtained experimental results are used for selecting the optimal technological parameters such as applied pressure and processing time
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.
This presentation shows some experimental results of the characterization of the creep behavior of LPBF 316L, which has been poorly studied and understood to date. The presentation includes results regarding the mechanical properties, the initial microstructural state and its evolution under loading, and the damage mechanism. This work was done within the BAM focus area materials project AGIL. As a benchmark to assess the material properties of the LPBF 316L, a conventionally manufactured variant was also tested.
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.
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.
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.
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.
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.
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.
Iron aluminides depict a sustainable and light-weight material class which could be employed in many applications requiring high strength at intermediate to high temperatures. According to first results, the alloy Fe-26Al-4Mo-0.5Ti-1B surpasses conventional materials in wet corrosion resistance and creep resistance up to 650 °C. For these reasons, the AiF research project “WAFEAL – Materials applications for iron aluminides” was initiated to transfer these findings into a standardised materials dataset and to derive best practices for processing. In the first place, a set of different microstructures adjusted by varying casting methods, wall thicknesses and heat treatments was investigated and correlated with hardness on macro and micro scale. Correlations were drawn between solidification rates and resulting grain sizes and hardness. The effect of vacancy hardening was only verified for wall thickness as low as 2.5 mm. Moreover, a common decrease of macrohardness after a heat treatment at 1000 °C for 100 h was observed irrespective of casting process or wall thickness. This effect was linked with an unexpected decrease of the complex boride phase fraction which acts as a hardening phase.
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.
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.
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.
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.
For more than half a century, spinodal decomposition has been a key phenomenon in considering the formation of secondary phases in alloys. The most prominent aspect of the spinodal phenomenon is the lack of an energy barrier on its transformation pathway, offering an alternative to the nucleation and growth mechanism. The classical description of spinodal decomposition often neglects the influence of defects, such as grain boundaries, on the transformation because the innate ability for like-atoms to cluster is assumed to lead the process. Nevertheless, in nanocrystalline alloys, with a high population of grain boundaries with diverse characters, the structurally heterogeneous landscape can greatly influence the chemical decomposition behavior. Combining atom-probe tomography, precession electron diffraction and density-based phase-field simulations, we address how grain boundaries contribute to the temporal evolution of chemical decomposition within the miscibility gap of a Pt-Au nanocrystalline system. We found that grain boundaries can actually have their own miscibility gaps profoundly altering the spinodal decomposition in nanocrystalline alloys. A complex realm of multiple interfacial states, ranging from competitive grain boundary segregation to barrier-free low-dimensional interfacial decomposition, occurs with a dependency upon the grain boundary character.
Ti-6Al-4V alloy is intensively used in the aerospace industry because of its high specific strength. However, the application of Laser Powder Bed Fusion (LPBF) Ti-6Al-4V alloy for structurally critical load-bearing components is limited. One of the main limiting factors affecting the structural integrity, are manufacturing defects. Additionally, the high cooling rates associated with LPBF process result in the formation of large residual stress (RS) with complex fields. Such RS can cause cracking and geometrical distortions of the part even right after production. Also, the microstructure of LPBF Ti-6Al-4V in the as-built condition is significantly different from that of the conventionally produced alloy. All these factors affect the mechanical behavior of the material. Therefore, to improve the material performance it is important to evaluate the individual effect of RS, defects, and microstructure on fatigue life. To this aim Ti-6Al-4V LPBF material in as-built condition and subjected to different post-processing, including two heat treatments (for stress relief and microstructural modification) and Hot Isostatic Pressing (HIP, for densification), were investigated.
Prior to fatigue tests at elevated temperature, the microstructure, the mesostructure, and subsurface RS on the fatigue samples were investigated. It was found that the fatigue performance of HIPped samples is similar to that of conventionally produced Ti-6Al-4V. The tensile RS found at the surface of as-built samples decreased the fatigue life compared to heat-treated samples. Additionally, the modification of the microstructure (by heat treatment) did not affect the fatigue performance in the regime of mostly elastic strain. This shows that in the absence of tensile RS the manufacturing defects solely control the failure of LPBF components and densification has the strongest effect on the improvement of the mechanical performance.
Rapid solidification leads to unique microstructural features, where a less studied topic is the formation of various crystalline defects, including high dislocation densities, as well as gradients and splitting of the crystalline orientation. As these defects critically affect the material’s mechanical properties and performance features, it is important to understand the defect formation mechanisms, and how they depend on the solidification conditions and alloying. To illuminate the formation mechanisms of the rapid solidification induced crystalline defects, we conduct a multiscale modelling analysis consisting of bond-order potential-based molecular dynamics (MD), phase field crystal-based amplitude expansion simulations, and sequentially coupled phase field–crystal plasticity simulations. The resulting dislocation densities are quantified and compared to past experiments. The atomistic approaches (MD, PFC) can be used to calibrate continuum level crystal plasticity models, and the framework adds mechanistic insights arising from the multiscale analysis.
This article is part of the theme issue ‘Transport phenomena in complex systems (part 2)’.
The studied aluminium alloy is EN AW-2618A (2618A). It is very widely used for exhaust gas turbo-charger compressor wheels. Due to long operating times, high cycle fatigue (HCF) and material aging under the influence of temperatures up to 230 °C is particularly relevant for the wheels. The wheels are typically milled from round wrought blanks. From such round blanks, different testpieces are extracted and a comprehensive series of HCF tests is conducted at room temperature. The tests investigate the materials fatigue performance in the T61 state for two load-ratios, namely R = -1 and R = 0.1. Additionally, two overaged material states are tested, accounting for the aging process the material undergoes during long operating times at high temperatures. The experimental results are evaluated and compared to each other.
Furthermore, the design process of notched specimens is presented. With the notched specimens, it is aimed to quantify the notch sensitivity of the material. Relating thereto, two potential model parameters for the fatigue lifetime model are introduced. Finally, the extended research data management in this project is highlighted and its advantages for sustainable use in material science and engineering applications are shown.
In this paper, columnar cellular growth with kinetic effects including kinetic undercooling and solute trapping in rapid directional solidification of alloys was investigated by using a recent quantitative phase-field model for rapid solidification. Morphological transition and primary spacing selection with and without kinetic effects were numerically investigated. Numerical results show that doublon structure is an intermediate state in the primary spacing adjustment of cellular arrays. It was found that the inclusions of kinetic effects result in the increase of the solute in the solid phase and the solute enrichment in the interdendritic liquid channel. Moreover, predicted results indicate that the growth directions of the cellular arrays in rapid directional solidification with and without kinetic effects are independent of the Péclet number. Therefore, the kinetic effects play important roles in numerical simulations of the growth pattern selection and solute distribution during rapid solidification. Neglecting them will result in the inaccurately predicted results.
Creep and creep damage behavior of stainless steel 316L manufactured by laser powder bed fusion
(2022)
This study presents a thorough characterization of the creep properties of austenitic stainless steel 316L produced by laser powder bed fusion (LPBF 316L) contributing to the sparse available data to date. Experimental results (mechanical tests, microscopy, X-ray computed tomography) concerning the creep deformation and damage mechanisms are presented and discussed. The tested LPBF material exhibits a low defect population, which allows for the isolation and improved understanding of the effect of other typical aspects of an LPBF microstructure on the creep behavior. As a benchmark to assess the material properties of the LPBF 316L, a conventionally manufactured variant of 316L was also tested. To characterize the creep properties, hot tensile tests and constant force creep tests at 600 °C and 650 °C are performed. The creep stress exponents of the LPBF material are smaller than that of the conventional variant. The primary and secondary creep stages and the times to rupture of the LPBF material are shorter than the hot rolled 316L. Overall the creep damage is more extensive in the LPBF material. The creep damage of the LPBF material is overall mainly intergranular. It is presumably caused and accelerated by both the appearance of precipitates at the grain boundaries and the unfavorable orientation of the grain boundaries. Neither the melt pool boundaries nor entrapped gas pores show a significant influence on the creep damage mechanism.
Single-crystal components made of nickel base superalloys contain pores after casting and homogenization heat treatment. Hot isostatic pressing (HIP), which is carried above the γ' -solvus temperature of the alloy, is industrially applied to reduce porosity. A modeling of HIP based on continuously distributed dislocations is developed in a 2D setting. Glide and climb of straight-edge dislocations, as well as vacancy diffusion, are the deformation mechanisms taken into account.
Thereby, dislocation glide is controlled by dragging a cloud of large atoms, and climb is controlled by vacancy diffusion. Relying on previous investigations of the creep behavior at HIP temperatures, it is assumed that new dislocations are nucleated at low-angle boundaries (LAB) and move through subgrains until they either reach the opposite LABs or react with other dislocations and annihilate.
Vacancies are created at the pore surface and diffuse through the alloy until they are either consumed by climbing dislocations or disappear at the LABs. The field equations are solved by finite elements. It is shown that pore shrinking is mostly controlled by vacancy diffusion as the shear stresses at the LABs are too low to
nucleate a sufficient amount of dislocations.
The finite element software ProCrackPlast is developed for the automated simulation of fatigue crack growth in arbitrarily loaded three-dimensional components with large scale plastic deformations, in particular under cyclic thermomechanical (TMF) loading.
ProCrackPlast is developed by extending the software Procrack, created at TU Freiberg for linear-elastic crack growth simulations. The pre-processing, FEM analysis, and the post-processing in ProCrackPlast are done by the commercial software ABAQUS. ProCrackPlast resorts to a crack growth procedure which adaptively updates the crack in finite increments based on the fracture-mechanical parameter, cyclic crack tip opening displacement ΔCTOD . Features of this software along with two application examples of fatigue crack growth in a typical cast steel, Ni-Resist, are presented in this paper to show its capability and performance.
Grain boundaries (GBs) are planar lattice defects that govern the properties of many types of polycrystalline materials. Hence, their structures have been investigated in great detail. However, much less is known about their chemical features, owing to the experimental difficulties to probe these features at the atomic length scale inside bulk material specimens. Atom probe tomography (APT) is a tool capable of accomplishing this task, with an ability to quantify chemical characteristics at near-atomic scale. Using APT data sets, we present here a machine-learning-based approach for the automated quantification of chemical features of GBs. We trained a convolutional neural network (CNN) using twenty thousand synthesized images of grain interiors, GBs, or triple junctions. Such a trained CNN automatically detects the locations of GBs from APT data. Those GBs are then subjected to compositional mapping and analysis, including revealing their in-plane chemical decoration patterns. We applied this approach to experimentally obtained APT data sets pertaining to three case studies, namely, Ni-P, Pt-Au, and Al-Zn-Mg-Cu alloys. In the first case, we extracted GB specific segregation features as a function of misorientation and coincidence site lattice character. Secondly, we revealed interfacial excesses and in-plane chemical features that could not have been found by standard compositional analyses. Lastly, we tracked the temporal evolution of chemical decoration from early-stage solute GB segregation in the dilute limit to interfacial phase separation, characterized by the evolution of complex composition patterns. This machine-learning-based approach provides quantitative, unbiased, and automated access to GB chemical analyses, serving as an enabling tool for new discoveries related to interface thermodynamics, kinetics, and the associated chemistry-structure-property relations.
The formation of pores in CMSX-4 nickel based superalloys is detrimental to the service life of the material. A way to avoid the problem is to treat the superalloys under Hot Isostatic Pressing (HIP), which enables a large volume fraction of pores to be annihilated. This paper aims to understand the contribution of plastic activity related to the gliding of dislocations on the pore annihilation. Simulations based on a phase-field model of dislocation are performed and make it possible to consider the strong anisotropy of the CMSX-4 under HIP conditions in conjunction to the strong elastic heterogeneity introduced by the pore. For pores with a radius of few micrometers, it is shown that edge parts of dislocation lines that present an extra half atomic plane oriented towards the pore are stacked above and under it in the direction which is perpendicular to their slip-planes, causing an increase of the number of dislocation along the four octahedral directions of the FCC single crystal which intersect the pore center. Results are streamlined within the isotropic elastic theory of dislocations. Effects of elastic anisotropy and dislocation reactions are also investigated in order to specify what would be the dislocation configuration around a pore in CMSX-4 under HIP conditions. Notably, the elastic anisotropy is shown to significantly modify the arrangement of dislocations close to the pore equator. Simulations also allow for the characterization of pore/dislocation interactions when dislocations are involved in Low Angle Boundaries as experimentally observed.
Characterization of Ti-6Al-4V fabricated by multilayer laser powder-based directed energy deposition
(2022)
Laser powder-based directed energy deposition (DED-L) is increasingly being used in additive manufacturing (AM). As AM technology, DED-L must consider specific challenges. It must achieve uniform volume growth over hundreds of layers and avoid heat buildup of the deposited material. Herein, Ti–6Al–4V is fabricated using an approach that addresses these challenges and is relevant in terms of transferability to DED–L applications in AM. The assessment of the obtained properties and the discussion of their relationship to the process conditions and resulting microstructure are presented. The quality of the manufacturing process is proven in terms of the reproducibility of properties between individual blanks and with respect to the building height. The characterization demonstrates that excellent mechanical properties are achieved at room temperature and at 400 °C.
The elastic constants are the most basic mechanical properties of a material and are needed for any structural analysis of a component. For example, they have a major influence on the eigenfrequencies of vibrating parts. Single crystals of Ni-base superalloys are strongly anisotropic, which means that the observed properties are orientation dependent. Tensor algebra is then required to mathematically formulate the elastic properties and their relations to the crystal orientation. Hence, this chapter first summarizes some basic definitions and calculation rules for Rotation matrices, including the definition of the Euler angles, which are most commonly used to define the relative orientations of the crystal and the component. Parts of this chapter closely follow the lines of the excellent exposition of the topic by Olschewski.
The large number of TEM investigations and the regular microstructure
of single-crystal nickel-base superalloys has boosted the development of a number of physically motivated constitutive laws. In contrast to the more phenomenological models discussed in the next chapter, these models use dislocation densities as internal variables. Obvious advantages are that the computed densities can be compared to TEM observations and the Deformation mechanisms can be easier translated into mathematical equations.
The elastic energy of mixing for multi-component solid solutions is derived by generalizing Eshelby's sphere-in-hole model. By surveying the dependence of the elastic energy on the chemical composition and lattice misfit, we derive a lattice strain coefficient λ*. Studying several high-entropy alloys and superalloys, we propose that most solid solution multi-component alloys are stable when λ*<0.16, generalizing the Hume-Rothery atomic-size rule for binary alloys. We also reveal that the polydispersity index δ, frequently used for describing strain in multi-component alloys, directly represents the elastic energy e with e=qδ², q being an elastic constant. Furthermore, the effects of (i) the number and (ii) the atomic-size distribution of constituting elements on the phase stability of high-entropy alloys were quantified. The present derivations and discussions open for richer considerations of elastic effects in high-entropy alloys, offering immediate support for quantitative assessments of their thermodynamic properties and studying related strengthening mechanisms.
The manufacturability of metallic alloys using laser-based additive manufacturing methods such as laser powder bed fusion has substantially improved within the last decade. However, local melting and solidification cause hierarchically structured and crystallographically textured microstructures possessing large residual stress. Such microstructures are not only the origin of mechanical anisotropy but also pose metrological challenges for the diffraction-based residual stress determination. Here we demonstrate the influence of the build orientation and the texture on the microstructure and consequently the mechanical anisotropy of as-built Inconel 718. For this purpose, we manufactured specimens with [001]/[011]-, [001]- and [011]/[111]-type textures along their loading direction. In addition to changes in the Young’s moduli, the differences in the crystallographic textures result in variations of the yield and ultimate tensile strengths. With this in mind, we studied the anisotropy on the micromechanical scale by subjecting the specimens to tensile loads along the different texture directions during in situ neutron diffraction experiments. In this context, the response of multiple lattice planes up to a tensile strain of 10% displayed differences in the load partitioning and the residual strain accumulation for the specimen with [011]/[111]-type texture. However, the relative behavior of the specimens possessing an [001]/[011]- and [001]-type texture remained qualitatively similar. The consequences on the metrology of residual stress determination methods are discussed.
Die HÜTTE ist ein Kompendium und Nachschlagewerk für unterschiedliche Aufgabenstellungen. Durch Kombination der Einzeldisziplinen dieses Wissenskreises kann das multidisziplinäre Grundwissen für die verschiedenen Technikbereiche und Ingenieuraufgaben zusammengestellt werden.
Die HÜTTE enthält in drei Bänden - orientiert am Stand von Wissenschaft und Technik und den Lehrplänen der Technischen Universitäten und Hochschulen - die Grundlagen des Ingenieurwissens.
Band 2 enthält die Grundlagen des Maschinenbaus und ergänzende Fächer.
Towards Interoperability: Digital Representation of a Material Specific Characterization Method
(2022)
Certain metallic materials gain better mechanical properties through controlled heat treatments. For example, in age-hardenable aluminum alloys, the strengthening mechanism is based on the controlled formation of nanometer sized precipitates, which represent obstacles to dislocation movement. Precise tuning of the material structure is critical for optimal mechanical behavior in the application. Therefore, analysis of the microstructure and especially the precipitates is essential to determine the ideal parameters for the interplay of material and heat treatment. Transmission electron microscopy (TEM) is utilized to identify precipitate types and orientations in a first step. Dark-field imaging (DF-TEM) is often used to image the precipitates and to quantify their relevant dimensions.
The present work aims at the digital representation of this material-specific characterization method. Instead of a time-consuming, manual image analysis, an automatable, digital approach is demonstrated. Based on DF-TEM images of different precipitation states of a wrought aluminum alloy, a modularizable digital workflow for quantitative precipitation analysis is presented. The integration of this workflow into a data pipeline concept will also be discussed. Thus, by using ontologies, the raw image data, their respective contextual information, and the resulting output data from the quantitative precipitation analysis can be linked in a triplestore. Publishing the digital workflow and the ontologies will ensure the reproducibility of the data. In addition, the semantic structure enables data sharing and reuse for other applications and purposes, demonstrating interoperability.
The presented work is part of two digitization initiatives, the Platform MaterialDigital (PMD, materialdigital.de) and Materials-open-Laboratory (Mat-o-Lab).
Within NFDI-MatWerk (“National Research Data Infrastructure for Material Sciences”/ “Nationale Forschungsdateninfrastruktur für Materialwissenschaften und Werkstofftechnik“), the Task Area Materials Data Infrastructure (TA-MDI) will provide tools and services to easily store, share, search, and analyze data and metadata. Such a digital materials environment will ensure data integrity, provenance, and authorship. The MatWerk consortium aims to develop specific solutions jointly with Participant Projects (PPs), which are scientific groups or institutes covering different domains, from theory and simulations to experiments. The Data Exploitation Methods group of the Karlsruhe Institute of Technology-Steinbuch Centre of Computing, as part of TA-MDI, is developing specific solutions in close collaboration with three PPs.
PP07, together with the University of Stuttgart, aims at the image-based prediction of the material properties of stochastic microstructures using large-scale supercomputers. PP13, in cooperation with the University of Saarland, focuses on tomographic methods at various scales in materials research. PP18, together with the Federal Institute for Materials Research and Testing (“Bundesanstalt für Materialforschung und -prüfung”), aspires to define the criteria for materials reference datasets and usage analytics.
The requirements and goals are comparable for each PP: their research outputs, which are scientific datasets, should conform to the FAIR (Findable, Accessible, Interoperable, Reusable) principles. We aim to shape them from a data management perspective making use of the FAIR Digital Object concept, including structured metadata and storage solutions. The results will be a blueprint which will act as a reference for future datasets. Even though the collaboration is in an early stage, the initial steps already show the added value of this approach.
This research has been supported by the Federal Ministry of Education and Research
(BMBF) – funding code M532701 / the Deutsche Forschungsgemeinschaft (DFG, German
Research Foundation) - project number NFDI 38/1, project no. 460247524.
Due to the increasing scarcity of critical raw materials current high-temperature materials are sought to be replaced by alloys based on more abundant metals. One possibility within the class of intermetallics are iron aluminides, which combine sustainability and cost-efficiency with the prospect of mass savings. Iron aluminides show competitive specific strength up to 700 °C and excellent creep and wet corrosion resistance by small additions of Mo, Ti and B. Nevertheless, a Mo content of above 2 at.% which is needed for optimum corrosion resistance results in enhanced brittleness, especially at room temperature. This is why alloys with these Mo fractions were only mechanically tested under compressive loading so far. Still, testing of static and creep properties under tensile loading is required for reliable component design. Besides high standards for crack-free processing, data acquisition for tensile loads is especially complicated by environmental embrittling effects for iron aluminides. To cope with these challenges, the AiF research project “WAFEAL – Materials applications for iron aluminides” was initiated. The main goal is to collect standardised data on ambient and high-temperature tensile properties and creep properties. Samples with a nominal composition of Fe-26Al-4Mo-0.5Ti-1B [at.%] were manufactured via centrifugal casting in ceramic shell moulds followed by machining. Heat treatment for homogenisation and final polishing were carried out where appropriate. A summary of the achieved tensile and creep properties such as yield and tensile strength, maximum elongation, secondary creep rate and stress exponents will be given. Results will be also discussed regarding the influence of temperature, stress level and microstructure on the damage mechanisms. Furthermore, the effect of different alloy concentrations on the mechanical response at different temperatures will be outlined within a small experimental series.
Die HÜTTE ist ein Kompendium und Nachschlagewerk für unterschiedliche Aufgabenstellungen. Durch Kombination der Einzeldisziplinen dieses Wissenskreises kann das multidisziplinäre Grundwissen für die verschiedenen Technikbereiche und Ingenieuraufgaben zusammengestellt werden.
Die HÜTTE enthält in drei Bänden - orientiert am Stand von Wissenschaft und Technik und den Lehrplänen der Technischen Universitäten und Hochschulen - die Grundlagen des Ingenieurwissens.
Band 1 enthält die mathematisch-naturwissenschaftlichen und allgemeinen Grundlagen.
A large amount of publicly available data is reproduced every day in the field of materials science, while these kind of material data can have different formats and types like paper-type publications, standards, datasheets or isolated datasets in repositories. However, gathering a specific library from such extensive and diverse material data is always challenging for the materials scientists and engineers, since the time-related limitations are not allowed to fully access the large publicly available databases; search across these disparate databases, manage the large volumes of heterogeneous datasets, and integrate data from multiple sources. To address these challenges and make data findable, accessible, interoperable, and reusable (FAIR), an efficient data management system is necessary to build comprehensive, documented, and connected data spaces in the future. A formal standardized knowledge representation through an ontology can address such problems and make data more available and interoperable between related domains. Ontology can also rich machine processable semantic descriptions that increases the performance of scientific searches. In this regard, the Platform MaterialDigital (PMD) is currently working on developing a high-level ontology for the materials and material related processes. For example, in one of the PMD projects of “KupferDigital”, we will try to develop a data ecosystem for digital materials research based on ontology-based digital representations of copper and copper alloys. As a case study, this paper describes the methodology for ontology development of Brinell hardness, based on PMD core ontology. The methodology we describe includes the following steps; gathering the required domain terminology from different resources like standards (DIN EN ISO 6506-1) and test reports, representing the performance of a standard-conformant hardness test and the treatment of the recorded values up to a “reportable” hardness value for a material, designing the process chain according to the semantic technologies, and developing a domain-level ontology of Brinell hardness based on PMD ontology semantic formalization. Apart the mentioned methodology, some interesting tools and methods were introduced and ontology design challenges and possible solutions for modelling materials and processes were discussed. Furthermore, a dataset from the Brinell hardness measurement of cast copper samples is prepared for testing the query process.
Mit der Digitalisierung von Materialien und Prozessen ist ein Paradigmenwechsel in der Materialentwicklung, -gestaltung und -optimierung verbunden, welcher gleichermaßen vielseitige Möglichkeiten eröffnet und eine große Herausforderung darstellt. Insbesondere sind bei den Digitalisierungsbestrebungen die Qualitätssicherung von Prozessen und Ausgabedaten sowie die Interoperabilität zwischen Anwendungen nach FAIR-Prinzipien (Findability, Accessibility, Interoperability, Reusability) sicherzustellen. Dies umfasst die Speicherung, Verarbeitung und Abfrage von Daten in möglichst standardisierter Form, wobei entsprechend auch Normungs- und Standardisierungsgremien beteiligt werden müssen. Um der Herausforderung gerecht zu werden, Materialdaten für alle Beteiligten konsistent zu kontextualisieren, müssen alle notwendigen Informationen zum Zustand des Materials inklusive produktions- und anwendungsbedingter Veränderungen über eine einheitliche, maschinenlesbare Beschreibung verfügbar gemacht werden. Hierfür sollen Ontologien genutzt werden, da sie maschinenverständliche und -interpretierbare Wissensrepräsentationen durch semantische Konzeptualisierungen ermöglichen, die für das Datenmanagement und die Digitalisierung im Bereich der Materialwissenschaften benötigt werden.
Dieses hochaktuelle Thema der Integration und Wiederverwendung von Wissen und Daten aus Herstellung, Bearbeitung und Charakterisierung von Materialien wird in den Projekten Innovationsplattform MaterialDigital (PMD, materialdigital.de) und Materials-open-Lab (Mat-o-Lab, matolab.org) adressiert. Diese beiden unter der Beteiligung der Bundeanstalt für Materialforschung und -prüfung (BAM) durchgeführten Projekte wurden auf der 39. Vortrags- und Diskussionstagung „Werkstoffprüfung“ (2021) grundlegend vorgestellt. In dieser Präsentation sollen die Weiterentwicklungen hinsichtlich der Speicherung von Zugversuchsdaten gemäß einer normenkonformen ontologischen Repräsentation vorgestellt werden. Das umfasst den Weg von der Entwicklung einer Ontologie nach Norm, der Konvertierung von Daten aus Standardtests in das interoperable RDF-Format bis hin zur Verknüpfung von Ontologie und Daten. Letztendlich können die entsprechenden Daten in einem Triple Store abgelegt und abgefragt werden.
Die übliche Standardisierung von mechanischen Prüfverfahren im Bereich der Materialwissenschaft und Werkstofftechnik dient als solide Grundlage für die Ontologieentwicklung. Daher wurde der Zugversuch von Metallen bei Raumtemperatur nach DIN EN ISO Norm 6892-1:2019-11 als einer der ersten Anwendungsfälle in den genannten Projekten ausgewählt. Die Betrachtung und Beschreibung des Zugversuchs beinhaltet sowohl dessen ontologische Darstellung als auch eine exemplarische Datengenerierung. Die semantische Verbindung von Ontologie und Daten führt zu Interoperabilität und einer verbesserten Abfragefähigkeit.
The dataset contains experimental mechanical data from complex service-like creep-fatigue experiments performed isothermally at 620 °C and a low strain amplitude of 0.2 % on tempered martensite-ferritic grade P92 steel. The data sets in text file format provide cyclic deformation (min. and max. stresses) and the total (hysteresis) data of all recorded fatigue cycles for three different creep-fatigue experiments: 1) a standard relaxation fatigue (RF) test with symmetrical dwell times of three minutes introduced at minimum and maximum strain, 2) a fully strain-controlled service-like relaxation (SLR) test combining these three-minute peak strain dwells with a 30-minute dwell in between at zero strain, and 3) a partly stress-controlled service-like creep (SLC) test combining the three-minute peak strain dwells with 30-minute dwells at constant stress.
Further information on data and data acquisition, analysis, and experimental details are given in “Experimental Data from Service-Like Creep-Fatigue Experiments on Grade P92 Steel”, submitted to Data in Brief. Additional analyses of these datasets, as well as experimental findings and discussions are presented in “Creep-Fatigue of P92 in Service-Like Tests with Combined Stress- and Strain-Controlled Dwell Times”, submitted to International Journal of Fatigue.
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.
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).
Additive manufacturing methods such as laser powder bed fusion (LPBF) allow geometrically complex parts to be manufactured within a single step. However, as an aftereffect of the localized heat input, the rapid cooling rates are the origin of the large residual stress (RS) retained in as-manufactured parts. With a view on the microstructure, the rapid directional cooling leads to a cellular solidification mode which is accompanied by columnar grown grains possessing crystallographic texture. The solidification conditions can be controlled by the processing parameters and the scanning strategy. Thus, the process allows one to tailor the microstructure and the texture to the specific needs. Yet, such microstructures are not only the origin of the mechanical anisotropy but also pose metrological challenges for the diffraction-based RS determination. In that context the micromechanical elastic anisotropy plays an important role: it translates the measured microscopic strain to macroscopic stress. Therefore, it is of uttermost importance to understand the influence of the hierarchical microstructures and the texture on the elastic anisotropy of LPBF manufactured materials.
This study reveals the influence of the build orientation and the texture on the micro-mechanical anisotropy of as-built Inconel 718. Through variations of the build orientation and the scanning strategy, we manufactured specimens possessing [001]/[011]-, [001]-, and [011]/[111]-type textures. The resulting microstructures lead to differences in the macroscopic mechanical properties. Even further, tensile in-situ loading experiments during neutron diffraction measurements along the different texture components revealed differences in the microstrain response of multiple crystal lattice planes. In particular, the load partitioning and the residual strain accumulation among the [011]/[111] textured specimen displayed distinct differences measured up to a macroscopic strain of 10 %. However, the behavior of the specimens possessing [001]/[011]-and [001]-type texture was only minorly affected. The consequences on the metrology of RS analysis by diffraction-based methods are discussed.
In recent years, the design and development of materials are strongly interconnected with the development of digital technologies. In this respect, efficient data management is the building block of material digitization and, in the field of materials science and engineering (MSE), effective solutions for data standardization and sharing of different digital resources are needed. Therefore, ontologies are applied that represent a map of MSE concepts and relationships between them. Among different ontology development approaches, graphical editing based on standard conceptual modeling languages is increasingly used due to its intuitiveness and simplicity. This approach is also adopted by the Materials-open-Laboratory project (Mat-o-Lab), which aims to develop domain ontologies and method graphs in accordance with testing standards in the field of MSE. To suit the actual demands of domain experts in the project, Ontopanel was created as a plugin for the popular open-source graphical editor diagrams.net to enable graphical ontology editing. It includes a set of pipeline tools to foster ontology development in diagrams.net, comprising imports and reusage of ontologies, converting diagrams to Web Ontology Language (OWL), verifying diagrams using OWL rules, and mapping data. It reduces learning costs by eliminating the need for domain experts to switch between various tools. Brinell hardness testing is chosen in this study as a use case to demonstrate the utilization of Ontopanel.
The mechanical strength of wrought high-strength aluminum alloys is essentially based on precipitation hardening, possibly in combination with prior forming, e. g. by stretching. Important parameters for achieving an optimum combination of hardness, strength, ductility, toughness, and further properties such as corrosion resistance are age-hardening temperature and time.
During thermal (mechanical) treatment, nucleation and growth of precipitates takes place, leading to the desired degree of hardening. In aluminum alloys, precipitation sequences are usually passed through, i. e. a sequence of metastable precipitates is formed before the stable phase can precipitate. The optimum combination of properties is therefore based on a certain (optimum) microstructure, which can, however, change during the use of a component, since the microstructure is not stable. This happens in particular when the operating temperatures are close to the aging temperature and/or the operating times are sufficiently long. An external mechanical load may accelerate the processes. The presentation gives some examples for this.
Following the new paradigm of materials development, design and optimization, the digitalization of materials and processes is the main goal which imposes a huge challenge. In this respect, the quality assurance of processes and output data as well as the interoperability between applications following FAIR (findability, accessibility, interoperability, reusability) principles are to be ensured. This includes storage, processing and querying of data in a preferably standardized form, also addressing the incorporation of standardization bodies. 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 semantic conceptualizations that are needed for data management and the digitalization in the field of materials science.
With respect to this currently ever-growing topic of integration and reuse of data and knowledge from synthesis, production and characterization of materials, this presentation shows the efforts taken within the project Platform MaterialDigital (PMD, materialdigital.de) to store tensile test data in accordance with a standard-compliant ontological representation. The includes the path from developing an ontology in accordance with the respective standard, converting ordinary and arbitrarily selected data gained from standard tests into the interoperable RDF format, up to connecting the ontology and data, respectively. Finally, such data can be queried from a triple store.
In the field of material science and engineering (MSE), most mechanical test methods are standardized which serves as a valid basis for ontology development. Therefore, the well-known tensile test of metals at room temperature (DIN EN ISO standard 6892-1:2019-11) was selected to be considered as one of the first use cases in PMD. This consideration within the PMD features both, the ontological representation of such a tensile test in accordance with the standard as well as exemplary data generation. The semantic connection of the ontology and data leads to interoperability and an enhanced ability of querying.
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.
The presentation shows the results of high cycle fatigue (HCF) tests from the aluminium alloy EN AW-2618A. This study investigates the mean stress influence in the T61 condition and the effect of overaging. For this purpose, axial HCF tests were carried out at room temperature and different stress ratios (R=-1, R=0.1) as well as with overaged conditions (T61+10h@230°C, T61+1000h@230°C). After completion of the tests, the fracture surfaces were examined to study crack initiation.
Entwicklung der Mikrostruktur der mechanischen Eigenschaften und der Eigenspannungen in L-PBF 316L
(2022)
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.
The scatter of fatigue crack growth data can become significant for coarse grained materials. By using a probabilistic description of crack propagation as the foundation of a lifetime prediction model, lifetime scatter of laboratory specimens can be reproduced. However, the lifetime of real components is subjected to additional scattering factors such as surface condition or uncertainty regarding direction and shape of emerging cracks. These factors need to be addressed in order to exploit the advantages of probabilistic description, i.e. the reduction of unnecessary conservatisms.
High temperature LCF (Low-Cycle-Fatigue) tests were performed with center hole specimens of a coarse-grained Nickel base Superalloy. In addition, crack propagation tests with Double Edge Notch specimens were performed. A procedure to detect the shape of the starting crack that combines the potential drop method and induction thermography was developed. The geometry and the number of notches were varied. Moreover, specimen with different hole surface finishes were investigated, which showed a detrimental effect of the roughness of the hole surface.
The results have been compared to predictions of a probabilistic tool for the estimation of lcf lifetime that has been calibrated beforehand on laboratory specimens with and without notches. In parallel, a fracture mechanics-based lifetime model was developed, which includes the initial crack size as a critical parameter. Thereby, the influence of the large grain size (>1mm), and the shape of the starting crack at the notch were considered.
Acknowledgements
The investigations are conducted as part of the joint research program COOREFLEX-Turbo in the frame of AG Turbo. The work is supported by Siemens AG and the Bundesministerium für Wirtschaft und Technologie (BMWi) as per resolution of the German Federal Parliament under grant number 03ET7071E.
Turbine blades often contain cylindric holes used to generate an air film that protects the blade alloy from the hot gases. These cooling holes of diameter around one mm are drilled by laser through the thickness of the blades. Unfortunately, the resulting stress concentration and the drilling-induced damage are known to favor crack initiation from the holes. It is thus necessary to assess the impact of these cooling holes on the structural integrity of the blades. Since cracks initiate very readily, the fatigue life of the components is mainly controlled by the propagation of the cracks in the stress gradient induced by the holes.
For this purpose, displacement controlled high-temperature LCF (Low-Cycle-Fatigue) tests were performed with center hole specimens of a coarse-grained Nickel base Superalloy. The tests were stopped after a defined load drop. In addition, crack propagation tests with Double Edge Notch specimens were performed. Moreover, specimens with different hole surface finishes were investigated, which showed a detrimental effect of the hole surface roughness. In parallel, an evaluation of the LCF tests based on a fracture mechanics-based model (Madia et al., Eng. Fract. Mech., 2018) has been applied. Thereby, the specimen life is controlled by the crack propagation time until failure. Crack growth is controlled by a modified NASGRO equation accounting for large-scale yielding and a progressive build-up of crack closure. The initial crack size has been derived from the measurements of defects around the borehole. A reasonable agreement between predicted and measured lifetimes is observed if one keeps in mind the large uncertainty regarding the effective shape of the cracks.
The amount of data generated worldwide is constantly increasing. These data come from a wide variety of sources and systems, are processed differently, have a multitude of formats, and are stored in an untraceable and unstructured manner, predominantly in natural language in data silos. This problem can be equally applied to the heterogeneous research data from materials science and engineering. In this domain, ways and solutions are increasingly being generated to smartly link material data together with their contextual information in a uniform and well-structured manner on platforms, thus making them discoverable, retrievable, and reusable for research and industry. Ontologies play a key role in this context. They enable the sustainable representation of expert knowledge and the semantically structured filling of databases with computer-processable data triples.
In this perspective article, we present the project initiative Materials-open-Laboratory (Mat-o-Lab) that aims to provide a collaborative environment for domain experts to digitize their research results and processes and make them fit for data-driven materials research and development. The overarching challenge is to generate connection points to further link data from other domains to harness the promised potential of big materials data and harvest new knowledge.
The studied aluminium alloy is EN AW-2618A (2618A). It is very widely used for exhaust gas turbo-charger compressor wheels. Due to long operating times, high cycle fatigue (HCF) and material aging under the influence of temperatures up to 230 °C is particularly relevant for the wheels. The wheels are typically milled from round wrought blanks. From such round blanks, different testpieces are extracted and a comprehensive series of HCF tests is conducted at room temperature. The tests investigate the materials fatigue performance in the T61 state for two load-ratios, namely R = -1 and R = 0.1. Additionally, two overaged material states are tested, accounting for the aging process the material undergoes during long operating times at high temperatures. The experimental results are evaluated and compared to each other.
Furthermore, the design process of notched specimens is presented. With the notched specimens, it is aimed to quantify the notch sensitivity of the material. Relating thereto, two potential model parameters for the fatigue lifetime model are introduced.
Tempered martensite-ferritic steels, such as the grade P92 steel studied in this contribution, exhibit pronounced macroscopic cyclic softening under isothermal low-cycle fatigue (LCF) and non-isothermal thermomechanical fatigue (TMF) conditions, which is considered to be the predominant degradation mechanism in high-temperature fatigue in this and other material groups. However, such softening processes are highly complex since microscopic (e.g., recovery) and macroscopic (e.g., crack initiation and growth), as well as global and local effects superimpose, especially under creep-fatigue conditions. In this contribution, we discuss the cyclic deformation and softening behavior of P92 in strain-controlled LCF, in-phase (IP) TMF, and out-of-phase (OP) TMF tests with and without dwell times in the temperature range from 300 °C to 620°C. EBSD-based dislocation analysis on various fatigued material states confirms the continuous redistribution and annihilation of geometrically necessary dislocations in all studied states, which can be quantitatively correlated with macroscopic softening despite different damage mechanisms for different test types. Deviations from this correlation are observed for OP TMF and LCF with dwell times, i.e., for conditions where optical microscopy reveals pronounced crack-oxidation interactions at the specimen surfaces.
The dataset provided in this repository comprises data obtained from a series of characterization tests performed to a sheet of typical S355 (material number: 1.0577) structural steel (designation of steel according to DIN EN 10025-2:2019). The tests include methods for the determination of mechanical properties such as, e.g., tensile test, Charpy test and sonic resonance test. This dataset is intended to be extended by the inclusion of data obtained from further test methods. Therefore, the entire dataset (concept DOI) comprises several parts (versions), each of which is addressed by a unique version DOI.
The data were generated in the frame of the digitization project Innovationplatform MaterialDigital (PMD) which, amongst other activities, aims to store data in a semantically and machine understandable way. Therefore, data structuring and data formats are focused in addition to aspects in the field of material science and engineering (MSE). Hence, this data is supposed to provide reference data as basis for experimental data inclusion, conversion and structuring (data management and processing) that leads to semantical expressivity as well as for MSE experts being generally interested in the material properties and knowledge.
In typical material oriented research projects numerous types and sources of data need to get connected to form the final outcome. The data-structures have to be described in a manner semantically concise enough so that all participants share the meaning and at the same time flexible enough to allow connecting findings and facts that have not been connected before.
The present contribution describes the approach that is being taken in a public funded research project with two cooperating research institutes. The aim of the data-management solution is to describe and interlink three main entity types: material entities like a test specimen that is under observation, immaterial entities like a fatigue life model and processes that generate and transform the immaterial and material entities.
The shared understanding of what is described by the data is achieved by referring to existing linked data resources. In addition a common thesaurus that is subject to ongoing discussion is used for concepts and terms that need precision beyond publicly available concept descriptions. The data associated with the entities and processes and entities is rather small and well structured. The entities and processes covered by the vocabularies are typical to laboratories performing fatigue testing and microstructure analysis. Through the interlinking of the entities and processes it becomes possible to intuitively understand the knowledge that is accumulating in the database. For example it is easy to trace the history of a creep test specimen starting from the chemical composition that has been analyzed for the heat, continuing with the heat treatment of the material, going into the creep test itself with the associated creep data and finally finding the transmission electron microscopy images that have been taken from the crept sample.
The presented approach is prototypical way to tackle the sustainable management of structured open research data. Open questions remain for example with the management of attributions, the acceptance of an increased effort in data creation and the access control to specific regions of the data. On the other hand the approach sketches what added value can be created, if the community adopts and contributes to the linked data principles.
Laser powder-based directed energy deposition (DED-L) is a technology that offers the possibility for 3D material deposition over hundreds of layers and has thus the potential for application in additive manufacturing (AM). However, to achieve broad industrial application as AM technology, more data and knowledge about the fabricated materials regarding the achieved properties and their relationship to the manufacturing process and the resulting microstructure is still needed. In this work, we present data regarding the low-cycle fatigue (LCF) behavior of Ti-6Al-4V. The material was fabricated using an optimized DED-L process. It features a low defect population and excellent tensile properties. To assess its LCF behavior two conventionally manufactured variants of the same alloy featuring different microstructures were additionally tested. The strain-controlled LCF tests were carried out in fully reversed mode with 0.3 % to 1.0 % axial strain amplitude from room temperature up to 400°C. The LCF behavior and failure mechanisms are described. For characterization, optical microscopy (OM), scanning electron microscopy (SEM), and micro-computed tomography (µCT) were used. The low defect population allows for a better understanding of the intrinsic material’s properties and enables a fairer comparison against the conventional variants. The fatigue lifetimes of the DED-L material are nearly independent of the test temperature. At elevated test temperatures, they are similar or higher than the lifetimes of the conventional counterparts. At room temperature, they are only surpassed by the lifetimes of one of them. The principal failure mechanism involves multiple crack initiation sites.
In this study, the influence of aging and mean stress on fatigue of the aluminium-alloy EN AW-2618A is investigated. Therefore axial fatigue tests are carried out on smooth specimens. The experiments show that the fatigue life decreases with increasing mean stress. Furthermore, the tests with the overaged specimens demonstrate that the number of cycles to failure is decreasing with increasing aging time.
Das hochaktuelle Thema der Integration und Wiederverwendung von Wissen und Daten aus Herstellung, Bearbeitung und Charakterisierung von Materialien ('Digitalisierung von Materialien') wird in den Projekten Innovationsplattform MaterialDigital (PMD, materialdigital.de) und Materials-open-Lab (Mat-o-Lab, matolab.org) adressiert. In diesem Beitrag werden die Weiterentwicklungen in diesen Projekten hinsichtlich der Speicherung von Zugversuchsdaten gemäß einer normenkonformen (DIN EN ISO 6892-1:2019-11) ontologischen Repräsentation vorgestellt. Das umfasst den Weg von der Entwicklung einer Ontologie nach Norm, der Konvertierung von Daten aus Standardtests in das interoperable RDF-Format bis hin zur Verknüpfung von Ontologie und Daten. Letztendlich können die entsprechenden Daten in einem Triple Store abgelegt und abgefragt werden.
Laser powder bed fusion (PBF-LB/M) of metallic alloys is a layer wise additive manufacturing process which provides significant scope for more efficient designs of components, benefiting performance and weight, leading to efficiency improvements for various sectors of industry. However, to benefit from these design freedoms, knowledge of the high produced induced residual stress and mechanical property anisotropy associated with the unique microstructures is critical. X-ray and neutron diffraction are considered the benchmark for non-destructive characterization of surface and bulk internal residual stress. The latter, characterized by the high penetration power in most engineering alloys, allows for the use of diffraction angle close to 90° enabling a near cubic sampling volume to be specified. However, the complex microstructures of columnar growth with inherent crystallographic texture typically produced during PBF-LB/M of metallics present significant challenges to the assumptions typically required for time efficient determination of residual stress. These challenges include the selection of an appropriate set of diffraction elastic constants and a representative strain-free reference for the material of interest. In this presentation advancements in the field of diffraction-based residual stress analysis of L-PBF Inconel 718 will be presented. The choice of an appropriate set of diffraction-elastic constants depending on the underlying microstructure will be described.
The aim of the task area Materials Data Infrastructure (TA-MDI) of the consortium Materials Science and Engineering (MatWerk) of National Research Data Infrastructure (NFDI) is to shape scientific datasets obtained through the Participant Projects (PPs) from a data management perspective conforming to the FAIR principles, making use of the FAIR Digital Object (FAIR DO) concept, including structured metadata and storage solutions. As an example, they apply PP18 (BAM) as a use case to demonstrate the proposed technical workflow.
Due to combined cyclic mechanical and thermal loading during operation, the material of exhaust gas conducting components of combustion engines is exposed to thermomechanical fatigue (TMF). This leads to formation and growth of cracks, especially at the most highly stressed points of these components. In order to better predict the service life of cracked components before failure, it is necessary to identify a crack propagation law for the material used. Isothermal crack propagation tests have been carried out at several temperatures with a typical cast iron to identify such a law. The crack length is measured by the potential drop method. The compliance method, fractography and thermographic camera measurements have been used to validate and calibrate the potential drop measurements. Each of the isothermal tests has been simulated using a specially developed FEM-algorithm based on remeshing and remapping. This algorithm has been implemented in python and ABAQUS. Thereby, the crack tip region is modeled by collapsed Quad8 elements. From the individual simulations, the cyclic crack tip opening displacement (ΔCTOD) is extracted and regarded as a potential fracture mechanics parameter which controls the crack growth rate. By combining the data from the experiments and the simulations, the crack propagation law has been identified. Finally, anisothermal crack propagation tests have been performed for validation of the crack growth law.
In nickelbasierten Superlegierungen, die für Gasturbinenschaufeln verwendet werden, sind bei hohen Betriebstemperaturen und -belastungen Kriechschäden, Ermüdung, Korrosion und Oxi-dation zu beobachten. Die betroffenen Turbinenschaufeln müssen ersetzt oder repariert werden, um Effizienzverluste und ein eventuelles Bauteilversagen zu vermeiden. In letzter Zeit wurden additive Fertigungs- und Lötverfahren für die Reparatur und das Fügen von Nickelbasiswerk-stoffen entwickelt, um die Einschränkungen der traditionellen Reparaturverfahren zu überwinden. Für eine auslegungsrelevante Bewertung des Risswachstumsverhaltens in den Fügezonen, die durch diese neuen Technologien erzeugt werden, sind Rissfortschrittsuntersuchungen erfor-derlich. Entsprechende Untersuchungen an gefügten Proben werden in diesem Beitrag vorge-stellt. Die Rissfortschrittsversuche werden an gefügten SEN-Proben (Single Edge Notch) bei einem Spannungsverhältnis von 0,1 und einer Temperatur von 950 °C durchgeführt. Das Riss-wachstum wird mit der DCPD-Methode (Direct Current Potential Drop) überwacht, und die ge-messenen Potenzialsignale werden anhand der optisch vermessenen Risslänge und einer Finite-Elemente-Analyse kalibriert. Der Spannungsintensitätsfaktor (SIF) für die gefügte SEN-Geometrie wird mit Hilfe von Finite-Elemente-Analysen berechnet. Auf diese Weise können Rissfortschrittskurven aus den experimentellen Daten abgeleitet werden.
Nickelbasierte Superlegierungen werden in großem Umfang für Gasturbinenschaufeln verwendet, da sie einer Kombination aus hoher Belastung und hohen Temperaturen widerstehen können. Um die Effizienz moderner Gasturbinen zu verbessern, werden hohe Betriebstemperaturen angestrebt. Diese hohen Temperaturen verbunden mit mechanischen Belastungen führen zu Materialschäden aufgrund von Kriechen, Ermüdung und anderen Schadensmechanismen. Aus diesem Grund werden Turbinenschaufeln regelmäßig im Rahmen von Wartungs- und Instandsetzungsmaßnahmen geprüft und falls erforderlich ausgetauscht, um ein katastrophales Versagen im Betrieb zu vermeiden. Ein kompletter Austausch ist mit sehr hohen Kosten verbunden, weshalb geeignete Reparaturverfahren entwickelt wurden und werden. Neue Reparaturtechnologien wie die Additive Fertigung, Lötverfahren und der Einsatz von vorgesinterten Vorformen (Presintered Preform PSP) sollen eine effiziente Reparatur und optimale Eigenschaften der reparierten Bauteile sichterstellen.
Im Allgemeinen stellen die Fügezonen typische Schwachstellen dar, da sie die Anrissbildung und Rissausbreitung erleichtern und die Anzahl der Lastzyklen bis zum Bruch reduzieren können. Aus diesem Grund ist eine umfassende Untersuchung des Rissfortschrittsverhaltens in diesen, durch neue Reparaturtechnologien entstandenen Bereichen erforderlich, um die Restlebensdauer der Turbinenschaufeln vorherzusagen.
Als ein erster Beitrag zu dieser Fragestellung werden Ergebnisse von Rissfortschrittsversuchen (Fig. 1) an SENT-Proben vorgestellt, die durch Engspaltlöten gefügt wurden. Die Versuche wurden bei einer Temperatur von 950 °C und einem Spannungsverhältnis R = 0,1 durchgeführt. Die Erfassung des Rissfortschritts erfolgte mit dem Gleichstrom-Potentialsonden-Verfahren. Mit der Finite-Element-Methode konnte der Spannungsintensitätsfaktor für gefügte SENT-Proben berechnet werden, der dann zur Berechnung der Risswachstumskurven verwendet wurde. Eine abschließende licht- und rasterelektronenmikroskopische Untersuchung der Bruchflächen soll einen Beitrag zum Verständnis der Bruchmechanismen liefern und klären, ob der Riss sich im Lotwerkstoff, im Grundwerkstoff oder in der Grenzfläche ausbreitet. Die Ergebnisse werden zur Kalibrierung des Rissfortschrittsmodells und der Auslegung zukünftiger Komponenten verwendet.
Creep-fatigue of P92 in service-like tests with combined stress- and strain-controlled dwell times
(2023)
Complex service-like relaxation- and creep-fatigue tests with strain- and stress-controlled dwells and fatigue cycle durations of approx. 2200 s were performed exemplarily on a grade P92 steel at 620 ◦C in this study. The results indicate deviations in the prevailing creep mechanisms of long-term relaxation and creep dwells, affecting subsequent dwells, load shifts, and the macroscopic softening behavior quite differently. In addition, fracture surfaces and longitudinal metallographic sections reveal intergranular crack growth for complex loading with stress-controlled dwells, whereas complex strain-controlled tests enhance oxidation and transgranular crack propagation. These findings substantiate the limited transferability of relaxation-fatigue to creep-fatigue conditions.
The elastic properties (Young's modulus, shear modulus) of Ni-based alloy Inconel IN718 were investigated between room temperature and 800 °C in an additively manufactured variant (laser powder bed fusion, PBF‑LB/M) and from a conventional process route (hot rolled bar). The moduli were determined using the dynamic resonance method. The data set includes information on processing parameters, heat treatments, grain size, specimen dimensions and weight, Young’s and shear modulus as well as their measurement uncertainty.
The dataset was generated in an accredited testing lab using calibrated measuring equipment. The calibrations meet the requirements of the test procedure and are metrologically traceable. The dataset was audited as BAM reference data.
The elastic properties (Young's modulus, shear modulus) of austenitic stainless steel AISI 316L were investigated between room temperature and 900 °C in an additively manufactured variant (laser powder bed fusion, PBF‑LB/M) and from a conventional process route (hot rolled sheet). The moduli were determined using the dynamic resonance method. The data set includes information on processing parameters, heat treatments, grain size, specimen dimensions and weight, Young’s and shear modulus as well as their measurement uncertainty.
The dataset was generated in an accredited testing lab using calibrated measuring equipment. The calibrations meet the requirements of the test procedure and are metrologically traceable. The dataset was audited as BAM reference data.
Towards interoperability: Digital representation of a material specific characterization method
(2023)
Certain metallic materials gain better mechanical properties through controlled heat treatments. In age-hardenable aluminum alloys, the strengthening mechanism is based on the controlled formation of nanometer sized precipitates, which hinder dislocation movement. Analysis of the microstructure and especially the precipitates by transmission electron microscopy allows identification of precipitate types and orientations. Dark-field imaging is often used to image the precipitates and quantify their relevant dimensions.
The present work aims at the digital representation of this material-specific characterization method. Instead of a time-consuming, manual image analysis, a digital approach is demonstrated. The integration of an exemplary digital workflow for quantitative precipitation analysis into a data pipeline concept is presented. Here ontologies enable linking of contextual information to the resulting output data in a triplestore. Publishing digital workflow and ontologies ensures the reproducibility of the data. The semantic structure enables data sharing and reuse for other applications and purposes, demonstrating interoperability.
The efforts taken within the project ‘platform MaterialDigital’ (PMD, materialdigital.de) to store FAIR data in accordance with a standard-compliant ontological representation (‘application ontology’) of a tensile test of metals at room temperature (ISO 6892-1:2019-11) will be presented. This includes the path from developing an ontology in accordance with the respective standard, converting ordinary data obtained from standard tests into the interoperable RDF format, up to connecting the ontology and data. The semantic connection of the ontology and data leads to interoperability and an enhanced ability of querying. For further reusability of data and knowledge semantically stored, the PMD core ontology (PMDco) was developed, which is a mid-level ontology in the field of MSE. The semantic connection of the tensile test application ontology to the PMDco is also presented. Moreover, Ontopanel, a tool for domain experts facilitating visual ontology development and mapping for FAIR data sharing in MSE, is introduced briefly.
The application and benefits of Semantic Web Technologies (SWT) for managing, sharing, and (re-)using of research data are demonstrated in implementations in the field of Materials Science and Engineering (MSE). However, a compilation and classification are needed to fully recognize the scattered published works with its unique added values. Here, the primary use of SWT at the interface with MSE is identified using specifically created categories. This overview highlights promising opportunities for the application of SWT to MSE, such as enhancing the quality of experimental processes, enriching data with contextual information in knowledge graphs, or using ontologies to perform specific queries on semantically structured data. While interdisciplinary work between the two fields is still in its early stages, a great need is identified to facilitate access for nonexperts and develop and provide user-friendly tools and workflows. The full potential of SWT can best be achieved in the long term by the broad acceptance and active participation of the MSE community. In perspective, these technological solutions will advance the field of MSE by making data FAIR. Data-driven approaches will benefit from these data structures and their connections to catalyze knowledge generation in MSE.
The article covers data on the Brinell hardness of the forged precipitation-hardened aluminum alloy EN AW-2618A in the initial T61 condition (i. e. slightly underaged) and after isothermal aging for up to 25,0 0 0 h at aging temperatures between 160 °C and 350 °C. In addition, the hardness was determined on specimens after creep testing at 190 °C and various stresses. The hardness decreases with increasing ag- ing time due to the microstructural evolution of the harden- ing precipitates. The drop occurs faster the higher the aging temperature. Aging under creep load additionally accelerates the hardness decrease.
The increasing importance of resource availability and closed-loop material cycles are driving materials research to reduce alloying content in conventional materials or even substitute them with more sustainable alternatives. Intermetallic iron aluminide alloys (FeAl) present a potential alternative. Many alloy concepts for improved high-temperature properties or ductility have already been successfully implemented in casting technologies on a laboratory scale. However, successful testing of FeAl alloys on an industrial scale was still pending at the beginning of the project.
Therefore, the aim of the project was to develop simulation based casting concepts for industrial casting processes using the base alloy Fe-26Al-4Mo-0.5Ti-1B and to narrow down process limits by means of hot cracking tests. Findings were transferred into practice-oriented guidelines for casting of iron aluminides, which is accessible to future applicants in SMEs. The focus was placed on centrifugal casting combined with investment casting or die casting. In addition to numerous design and casting process parameters, heat treatments and alloying additions (Al, Mo, B) were varied to determine the influence of alloying elements on castability, microstructure and mechanical properties. Data from microstructure analyses (microscopic imaging, determination of grain sizes as well as phase compositions and volume fractions, fractography), mechanical tests (hardness measurements, compression tests, ambient and high-temperature tensile tests, creep tests) as well as measurements of thermophysical properties could be generated on the base alloy. Correlations of materials data with process variables allowed conclusions to be drawn on strengthening mechanisms and ductility of the alloy and how they can be controlled in terms of processing and component design. Successful casting of highly complex components with thin wall thicknesses and optimised alloy compositions points out prospects for new fields of application.
The increasing importance of resource availability and closed-loop material cycles are driving materials research to reduce alloying content in conventional materials or even substitute them with more sustainable alternatives. Intermetallic iron aluminide alloys (FeAl) present a potential alternative. Many alloy concepts for improved high-temperature properties or ductility have already been successfully implemented in casting technologies on a laboratory scale. However, successful testing of FeAl alloys on an industrial scale was still pending at the beginning of the project.
Therefore, the aim of the project was to develop simulation-based casting concepts for industrial casting processes using the base alloy Fe-26Al-4Mo-0.5Ti-1B and to narrow down process limits by means of hot cracking tests. Findings were transferred into practice-oriented guidelines for casting of iron aluminides, which is accessible to future applicants in SMEs. The focus was placed on centrifugal casting combined with investment casting or die casting. In addition to numerous design and casting process parameters, heat treatments and alloying additions (Al, Mo, B) were varied to determine the influence of alloying elements on castability, microstructure and mechanical properties. Data from microstructure analyses (microscopic imaging, determination of grain sizes as well as phase compositions and volume fractions, fractography), mechanical tests (hardness measurements, compression tests, ambient and high-temperature tensile tests, creep tests) as well as measurements of thermophysical properties could be generated on the base alloy. Correlations of materials data with process variables allowed conclusions to be drawn on strengthening mechanisms and ductility of the alloy and how they can be controlled in terms of processing and component design. Successful casting of highly complex components with thin wall thicknesses and optimised alloy compositions points out prospects for new fields of application.
The damage mechanisms of metallic components produced by process laser powder bed fusion differ significantly from those typically observed in conventionally manufactured variants of the same alloy. This is due to the unique microstructures of additively manufactured materials. Herein, the focus is on the study of the evolution of creep damage in stainless steel 316L specimens produced by laser powder bed fusion. X-ray computed tomography is used to unravel the influence of the process-specific microstructure from the influence of the initial void distribution on creep damage mechanisms. The void distribution of two specimens tested at 600 °C and 650 °C is analyzed before a creep test, after an interruption, and after fracture. The results indicate that the formation of damage is not connected to the initial void distribution. Instead, damage accumulation at grain boundaries resulting from intergranular cracking is observed.
The elastic properties (Young's modulus, shear modulus) of titanium alloy Ti-6Al-4V were investigated between room temperature and 400 °C in an additively manufactured variant (laser-based directed energy deposition with powder as feedstock, DED-LB/M) and from a conventional process route (hot rolled bar). The moduli were determined using the dynamic resonance method. The data set includes information on processing parameters, heat treatments, microstructure, grain size, specimen dimensions and weight, Young’s and shear modulus as well as their measurement uncertainty.
The dataset was generated in an accredited testing lab using calibrated measuring equipment. The calibrations meet the requirements of the test procedure and are metrologically traceable. The dataset was audited as BAM reference data.
The dataset provided in this repository comprises data obtained from a series of full-notch creep tests (FNCT) performed on selected high-density polyethylene (PE-HD) materials (for further details, see section 1 Materials in this document) in accordance with the corresponding standard ISO 16770.
The FNCT is one of the mechanical testing procedures used to characterize polymer materials with respect to their environmental stress cracking (ESC) behavior. It is widely applied for PE-HD materials, that are predominantly used for pipe and container applications. It is based on the determination of the time to failure for a test specimen under constant mechanical load in a well-defined and temperature controlled liquid environment. The test device used here also allows for continuous monitoring of applied force, specimen elongation and temperature.
This is an interactive workshop of the Plattform MaterialDigital (PMD) on Semantic Web technologies (SWT) where we delve into the world of ontology development and data structuring in the field of materials science and engineering (MSE). This workshop is designed to equip participants with essential skills in categorizing classes within ontologies, with a special emphasis on the PMD Core Ontology (PMDco). Discover the immense value of ontologies for MSE data reproducibility and reuse and harness the power of PMDco to foster your data management practices.
In this workshop, you will explore the intricacies of class categorization when developing ontologies in the MSE domain. Through interactive discussions and hands-on exercises, you will learn effective techniques for structuring and organizing ontologies to enhance data retrieval and analysis. You will gain valuable insights into best practices and considerations for class categorization, aiming at optimal data organization and management within your MSE projects.
One of the highlights of this workshop is the introduction to PMDco, a mid-level ontology in the field of MSE developed community-driven in the frame of the project PMD. Learn about PMDco, its underlying concepts, and its application in detail. Discover how PMDco provides a comprehensive framework for MSE data representation, enabling seamless integration and interoperability across different systems and platforms. In addition to exploring PMDco, this workshop will illustrate the benefits of data interoperability and SWT with respect to leveraging the full potential of MSE data.
In dieser Präsentation werden die letzten Entwicklungen in der Plattform MaterialDigital (PMD) im DIN Normenausschuss 062-01-42 AA zur Zug- und Duktilitätsprüfung für Metalle vorgestellt. Dabei werden hauptsächlich die Entwicklungen und Neustrukturierung der PMD Core Ontology (PMDco) sowie die entsprechende Anpassung der Zugversuchsontologie (Tensile Test Ontology - TTO) inklusive des Datenmappings adressiert. Für das Datenmapping wurde ein speziell im Zusammenhang mit der PMD erstellter Zugversuchsdatensatz verwendet, welcher frei verfügbar in einem online Zenodo Repository veröffentlicht ist. Weiterhin wird die Weiterentwicklung der Norm in Verbindung mit ihrer folgenden Revision hinsichtlich der Integration von Aspekten zur Digitalisierung in der Materialwissenschaft und Werkstofftechnik sowie der Verwendung von semantischen Technologien, wie unter anderem ontologischen Repräsentationen von Materialien und Prozessen, diskutiert.
This article refers to the research article entitled “Creep-Fatigue of P92 in Service-Like Tests with Combined Stress- and Strain-Controlled Dwell Times” [1]. It presents experimental mechanical data from complex service-like creep-fatigue experiments performed isothermally at 620 °C and a low strain amplitude of 0.2 % on tempered martensite-ferritic grade P92 steel. The data sets in text file format provide cyclic deformation (min. and max. stresses) and the total (hysteresis) data of all recorded fatigue cycles for three different creep-fatigue experiments: 1) a standard relaxation fatigue (RF) test with symmetrical dwell times of three minutes introduced at minimum and maximum strain, 2) a fully strain-controlled service-like relaxation (SLR) test combining these three-minute peak strain dwells with a 30-minute dwell in between at zero strain, and 3) a partly stress-controlled service-like creep (SLC) test combining the three-minute peak strain dwells with 30-minute dwells at constant stress. Such service-like (SL) tests with additional long-term stress- and strain-controlled dwell times are non-standard, rare, and expensive, making these data very valuable. They may be used to approximate cyclic softening in the technically relevant range, for the design of complex SL experiments, or for detailed analyses of stress-strain hystereses (e.g., for stress or strain partitioning methods, for the determination of hysteresis energies (work), inelastic strain components, etc.). In addition, the latter analyses may supply important input for advanced parametric lifetime modeling of components under creep-fatigue loading or model calibration parameters.
Die hohen Betriebstemperaturen während des Einsatzes von Radialverdichterrädern in Abgasturboladern führen zu einer Änderung der ursprünglich eingestellten Mikrostruktur in der warmfesten Aluminiumlegierung EN AW-2618A (Überalterung). Grund dafür sind thermische Belastungen, die nahe der Aushärtetemperatur liegen und diese kurzzeitig sogar überschreiten können. Die Alterungsmechanismen wurden zusammen mit den Themen niederzyklische (LCF) und thermomechanische Ermüdung (TMF) sowie Kriechen bis max. 190 °C in vorangegangenen Forschungsvorhaben untersucht. Kaum untersucht war bisher das Verhalten der Legierung unter hochzyklischer Beanspruchung (HCF) sowie der Einfluss von Kerben und Lastkollektiven. Da zukünftig mit weiter steigenden Betriebstemperaturen für Radialverdichter zu rechnen ist, wurde in diesem Forschungsvorhaben das HCF-Verhalten bei 230 °C untersucht und somit bei einer Prüftemperatur, die deutlich oberhalb der Aushärtetemperatur liegt. Das Ziel des Projektes war der Aufbau einer geeigneten experimentellen Datenbasis, das Verständnis der relevanten mikrostrukturellen Prozesse sowie die Weiterentwicklung und Anpassung geeigneter Modelle und Bewertungsmethoden.
Das experimentelle Untersuchungsprogramm umfasste neben einer Basischarakterisierung des HCF-Verhaltens am Ausgangszustand T61 gezielte mechanische Versuche zur Isolierung der Einflussfakto-ren Mittelspannung (𝑅 = −1, 𝑅 = 0,1), Werkstoffüberalterung (T61, 10 h/230 °C, 1000 h/230 °C), Prüftemperatur (20 °C, 230 °C), Prüffrequenz (0,2 Hz, 20 Hz) sowie Kerbwirkung und variable Amplituden. Darauf aufbauend wurden die in den vorangegangenen Projekten entwickelten Modelle und Bewertungsmethoden angepasst und weiterentwickelt, um die genannten thermischen und mechanischen Belastungen in der Lebensdauerbewertung abzubilden.
The KupferDigital project aims to develop digital methods, tools, and data space infrastructures for digitalizing the entire life cycle of copper materials. The mechanical testing process is one of the main chains of such life cycles which generates lots of important testing data about the mechanical properties of the materials and their related materials and testing metadata. To train the digitalization of the mechanical testing process, different kinds of copper alloys were provided for this project, and their mechanical properties were measured by typical methods like Brinell and Vickers hardness and tensile testing. The primary raw testing data as well as the secondary datasets of these tests are provided. The detailed materials specifications, the utilized mechanical testing methods, and provided datasets are described in the content file. The test data files of heterogeneous structures are processed by the KupferDigital digital tools to be converted to standardized machine-readable data files.
Die HÜTTE ist ein Kompendium und Nachschlagewerk für unterschiedliche Aufgabenstellungen. Durch Kombination der Einzeldisziplinen dieses Wissenskreises kann das multidisziplinäre Grundwissen für die verschiedenen Technikbereiche und Ingenieuraufgaben zusammengestellt werden.
Die HÜTTE enthält in drei Bänden - orientiert am Stand von Wissenschaft und Technik und den Lehrplänen der Technischen Universitäten und Hochschulen - die Grundlagen des Ingenieurwissens.
Band 3 enthält die Elektro- und informationstechnische Grundlagen.
Reference datasets in the MSE domain represent specific material properties, e.g., structural, mechanical, … characteristics. A reference dataset must fulfill high-quality standards, not only in precision of measurement but also in a comprehensive documentation of material, processing, and testing history (metadata). This Infrastructure Use Case (IUC) of the consortium Materials Science and Engineering (MatWerk) of National Research Data Infrastructure (NFDI) aims to develop, together with BAM and other Participant Projects (PP), a framework for generating reference material datasets using creep data of a single crystal Ni-based superalloy as a best practice example. In a community-driven process, we aim to encourage the discussion and establish a framework for identifying reference material datasets. In this poster presentation, we highlight our current vision and activities and intend to stimulate the discussion about the topic reference datasets and future collaborations and work.
The high operating temperatures of radial compressor wheels in exhaust gas turbochargers lead to a change in the original microstructure of the heat-resistant aluminum alloy EN AW-2618A (overaging). This is caused by thermal loads that are close to the age hardening temperature and can even exceed it for a short time. The aging mechanisms have been investigated together with low cycle fatigue (LCF), thermomechanical fatigue (TMF) and creep up to max. 190 °C in previous research projects. The be-havior of the alloy under high cycle fatigue (HCF) and the influence of load spectra have hardly been investigated. Since the operating temperatures of centrifugal compressors are expected to increase in the future, this research project investigated the HCF behavior at 230 °C, a test temperature significantly higher than the age hardening temperature. The objectives of the project were to establish a suitable experimental database, to understand the relevant microstructural processes, and to further develop and adapt suitable models and evaluation methods.
In addition to a basic characterization of the HCF behavior in the initial condition T61, the experimental investigation program included targeted mechanical tests to isolate the influencing factors of mean stress (𝑅=−1, 𝑅=0.1), material overaging (T61, 10 h/230 °C, 1000 h/230 °C), test temperature (20 °C, 230 °C), test frequency (0.2 Hz, 20 Hz) as well as variable amplitudes. On this basis, the models and evaluation methods developed in the previous projects were adapted and further developed to reflect thermal and mechanical loads in the lifetime assessment.
Die Steigerung der Leistung und des thermodynamischen Wirkungsgrades von Verbrennungsmotoren führt zu erhöhten Anforderungen an die Festigkeit abgasführender Komponenten wie z. Bsp. Abgasturbolader. Als Folge erhöhter thermomechanischer Wechselbeanspruchungen (TMF) im Betrieb kommt es an den mechanisch und/oder thermisch höchst beanspruchten Stellen der Bauteile zur Bildung von Rissen, wodurch die Lebensdauer der Komponenten begrenzt wird. Derzeit werden bei Turboladern heißgehende Bauteile mit detektierten Rissen zumeist prophylaktisch ersetzt, da die weitere Ausbreitung der Risse während des Betriebs nicht vorhergesagt werden kann. Um diese aufwändige und un- ökonomische Praxis zu vermeiden, wurde im vorliegenden Forschungsvorhaben eine rechnerische Bewertungsmethode auf Basis der experimentellen und numerischen Bruchmechanik erarbeitet, mit deren Hilfe bereits in der Auslegungsphase oder während des Betriebs die (restliche) Lebensdauer der abgasführenden Komponenten vorhergesagt werden kann. Damit wird erstmalig die quantitative Vorhersage der Rissentwicklung bei TMF-Beanspruchungsbedingungen unter Berücksichtigung großer zyklischer viskoplastischer Verformungen ermöglicht.
Zentrales Ergebnis des Vorhabens ist eine automatisierte Berechnungsprozedur auf der Basis spezieller Finite-Elemente-Techniken (FEM), womit sowohl der Pfad als auch die Größe eines Risses als Funktion der Anzahl der Lastwechsel in Bauteilen unter TMF-Bedingungen berechnet werden kann. Als geeigneter Beanspruchungsparameter zur Bewertung des Rissfortschritts unter TMF wurde die zyklische Rissöffnungsverschiebung ΔCTOD verwendet. Das Werkstoffverhalten des betrachteten austenitischen Gusseisens Ni-Resist D-5S wurde mit einem validierten viskoplastischen, temperaturabhängigen Materialmodell modelliert, das zur Berücksichtigung große Verzerrungen und Rotationen am Riss erweitert wurde. Für die genaue Berechnung des ΔCTOD bei TMF wurden effiziente FEM-Techniken erarbeitet. Zur Simulation der Rissausbreitung wurde ein automatischer FEM-Algorithmus mit inkrementeller adaptiver Neuvernetzung entwickelt, bei dem die Verformungen und inelastischen Zustandsvariablen jeweils vom alten auf das neue Netz übertragen werden. Dieser Algorithmus wurde im Software-Paket ProCrackPlast implementiert, das in Verbindung mit dem kommerziellen FEM-Code Abaqus zur Lösung dreidimensionaler Rissprobleme zur Verfügung steht. Ziel der umfangreichen experimentellen Arbeiten war es, an isothermen LCF und anisothermen TMF-Versuchen mit gekerbten Flachzugproben (SENT) das Risswachstum im Temperaturbereich von 20 °C bis 700 °C zu ermitteln. Mit Hilfe begleitender 2D FEM Simulationen wurden anhand dieser Datenbasis die Rissfortschrittskurven des Werkstoffs unter Anwendung des ΔCTOD-Konzepts bestimmt und in geeigneter, parametrisierter Form den Nutzern zur Verfügung gestellt. Die Versuche an SENT-Proben wurden mit der entwickelten Software ProCrackPlast als 3D Modell simuliert. Der Vergleich der 2D und 3D Simulationen ergab einen systematischen Unterschied im CTOD und CTOD, der mit Hilfe eines Übertragungsfaktors korrigiert wurde. Der Vergleich der 3D Berechnungen mit den Experimenten zeigte eine zufriedenstellende Übereinstimmung der er- reichten Risslänge mit der Zahl der Lastzyklen im gesamten Temperaturbereich, wobei die numerische Prognose meist auf der konservativen / sicheren Seite lag. Die Übertragbarkeit der Ergebnisse der 2D Parameteridentifikation auf 3D Risskonfigurationen mit Mixed-Mode Beanspruchung ist mit zusätzlichen Versagenshypothesen verbunden, die aufgrund fehlender Versuchsdaten im Vorhaben nicht endgültig geklärt werden konnten. Zur Validierung des Gesamtkonzeptes wurden LCF-Proben mit einem bauteil- typischen Oberflächenriss experimentell und numerisch untersucht. In der Simulation konnte die komplexe Form und Größe der Rissentwicklung zufriedenstellend (richtig) vorhergesagt werden. Die Leis- tungsfähigkeit der erarbeiteten rechnerische Bewertungsmethode wurde an weiteren TMF-Beispielen vorgestellt und diskutiert. Die Software ProCrackPlast und die viskoplastische Materialroutine wurden dem Anwenderkreis des Vorhabens zusammen mit einem Nutzer-Handbuch und Verifikationsbeispielen zur Verfügung gestellt.
Das Ziel des Forschungsvorhabens ist erreicht worden.