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KupferDigital mechanical testing datasets: Stress relaxation and low-cycle fatigue (LCF) tests
(2024)
The KupferDigital project deals with the development of a data ecosystem for digital materials research on the basis of ontology-based digital representations of copper and copper alloys. This document provides exemplary mechanical testing datasets for training the developed KupferDigital infrastructures. Different types of cast copper alloys were provided for this research and their mechanical testing (stress relaxation and low-cycle fatigue) was performed in the accredited materials testing laboratory, while the test results were reported according to the DIN/ISO standards and attached with the maximum possible metadata about the sample history, equipment, and calibration. The attached content file consisted of the obtained primary raw testing data as well as the secondary datasets of these tests containing the detailed metadata of mechanical testing methods. Such test data files are processed by the KupferDigital digital tools to be converted to standardized machine-readable data files.
Thermoelectric generators are very attractive devices for waste heat energy harvesting as they transform a temperature difference into electrical power. However, commercially available generators show poor power density and limited operation temperatures. Research focuses on high‐temperature materials and innovative generator designs. Finding the optimal design for a given material system is challenging. Here, a theoretical framework is provided that allows appropriate generator design selection based on the particular material properties. For high‐temperature thermoelectric oxides, it can be clearly deduced that unileg multilayer generators have the highest potential for effective energy harvesting. Based on these considerations, prototype unileg multilayer generators from the currently best thermoelectric oxide Ca3Co4O9 are manufactured for the first time by industrially established ceramic multilayer technology. These generators exhibit a power density of 2.2 mW/cm² at a temperature difference of 260 K, matching simulated values and confirming the suitability of the technology. Further design improvements increase the power density by a factor of 22 to facilitate practicable power output at temperature differences as low as 7 K. This work demonstrates that reasonable energy harvesting at elevated temperatures is possible with oxide materials and appropriate multilayer design.
The unusual behavior observed in the coefficient of thermal expansion and specific heat capacity of CrFeNi, CoCrNi, and CoCrFeNi medium/high-entropy alloys is commonly referred to as the K-state effect. It is shown to be independent of the Curie temperature, as demonstrated by temperature-dependent magnetic moment measurements. CoCrFeNi alloy is chosen for detailed characterization; potential reasons for the K-state effect such as texture, recrystallization, and second-phase precipitation are ruled out. An examination of the electronic structure indicates the formation of a pseudo-gap in the Density of States, which suggests a specific chemical interaction between Ni and Cr atoms upon alloying. Hybrid Monte Carlo/Molecular Dynamic (MC/MD) simulations indicate the presence of non-negligible chemical short-range order (CSRO). Local lattice distortions are shown to be negligible, although deviations around Cr and Ni elements from those expected in a fully disordered structure are experimentally observed by X-ray absorption spectroscopy. The determined bonding distances are in good agreement with MC/MD calculations. A mechanism is proposed to explain the anomalies and calorimetric experiments and their results are used to validate the mechanism.
Irradiation assisted stress corrosion cracking (IASCC) is a form of intergranular stress corrosion cracking that occurs in irradiated austenitic alloys. It requires an irradiated microstructure along with high temperature water and stress. The process is ubiquitous in that it occurs in a wide range of austenitic alloys and water chemistries, but only when the alloy is irradiated. Despite evidence of this degradation mode that dates back to the 1960s, the mechanism by which it occurs has remained elusive. Here, using high resolution electron backscattering detection to analyze local stress-strain states, high resolution transmission electron microscopy to identify grain boundary phases at crack tips, and decoupling the roles of stress and grain boundary oxidation, we are able to unfold the complexities of the phenomenon to reveal the mechanism by which IASCC occurs. The significance of the findings impacts the mechanical integrity of core components of both current and advanced nuclear reactor designs worldwide.
Following the new paradigm of materials development, design, and optimization, digitalization is the main goal in materials sciences and engineering (MSE) 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 principles are to be ensured. For storage, processing, and querying of data in contextualized form, Semantic Web technologies (SWT) are used since they allow for machine-actionable and human-readable knowledge representations needed for data management, retrieval, and (re)use.
The project ‘platform MaterialDigital’ (PMD, https://materialdigital.de) aims to bring together and support interested parties from both industrial and academic sectors in a sustainable manner in solving digitalization tasks and implementing digital solutions. Therefore, the establishment of a virtual material data space and the systematization of the handling of hierarchical, process-dependent material data are focused. Core points to be dealt with are the development of agreements on data structures and interfaces implemented in distinct software tools and to offer users specific support in their projects. Furthermore, the platform contributes to a standardized description of data processing methods in materials research. In this respect, selected MSE methods are semantically represented which are supposed to serve as best practice examples with respect to knowledge representation and the creation of knowledge graphs used for material data.
Accordingly, this presentation shows the efforts taken within the PMD project towards the digitalization in MSE such as the development of the mid-level PMD core ontology (PMDco, https://github.com/materialdigital/core-ontology). Furthermore, selected results of a PMD partner project use case addressing data and knowledge management from synthesis, production, and characterization of materials are shown.
In the past two decades, numerous relaxation or physical aging experiments of metallic glasses have revealed signatures of intermittent atomic-scale processes. Revealed via intensity cross-correlations from coherent scattering using X-ray photon correlation spectroscopy (XPCS), the observed abrupt changes in the time-domain of atomic motion does not fit the picture of gradual slowing down of relaxation times and their origin continues to remain unclear. Using a binary Lennard-Jones model glass subjected to microsecond-long isotherms, we show here that temporally and spatially heterogeneous atomic-cluster activity at different length-scales drive the emergence of highly non-monotonous intensity cross-correlations. The simulated XPCS experiments reveal a variety of time-dependent intensity-cross correlations that, depending on both the structural evolution and the 𝑞-space sampling, give detailed insights into the possible structural origins of intermittent aging measured with XPCS.
Highly unrelaxed structural states of metallic glasses have often advantageous mechanical properties. Since metallic glasses continuously relax with time (age) or inherently are well relaxed after processing, methods to uniformly rejuvenate the material are needed. One approach that has received attention is the so-called cryogenic-cycling method, during which a metallic glass is repeatedly immersed into liquid nitrogen. In some cases, cryogenic cycling is truly efficient in increasing the stored excess enthalpy of metallic glasses, but it does not seem to be universally applicable to all alloys and structural states. The origins for these differences remain unclear due to our limited understanding of the underlying structural evolution. In order to shed more light onto the fundamental structural processes of cryogenic cycling, we pursue in-situ x-ray photon correlation spectroscopy (XPCS) to trace the atomic-scale structural dynamics of a Zr-based metallic glass in two different structural states (ribbon and bulk metallic glass). This method allows calculating the relaxation times as a function of time throughout the thermal cycling. It is found that the investigated glasses exhibit heterogeneous structural dynamics at 300 K, which changes to monotonic aging at 78 K. Cryogenic cycling homogenizes the relaxation time distribution for both structural states. This effect is much more pronounced in the ribbon, which is the only structural state that rejuvenates upon cycling. We furthermore reveal how fast atomic-scale dynamics is correlated with long-time average structural relaxation times irrespective of the state, and that the ribbon exhibits unexpected additional fast atomic-scale relaxation in comparison to the plate material. Overall, a picture emerges that points towards heterogeneities in fictive temperature as a requirement for cryogenic energy storage.
Additive manufacturing (AM) offers significantly greater freedom of design compared to conventional manufacturing processes since the final parts are built layer by layer. This enables metal AM, also known as metal 3D printing, to be utilized for improving efficiency and functionality, for the production of parts with very complex geometries, and rapid prototyping. However, despite many technological advancements made in recent years, several challenges hinder the mass adoption of metal AM. One of these challenges is mechanical anisotropy which describes the dependency of material properties on the material orientation. Therefore, in this work, stainless steel 316L parts produced by laser-based powder bed fusion are used to isolate and understand the root cause of anisotropy in AM parts. Furthermore, an efficient and accurate multiscale numerical framework is presented for predicting the deformation behavior of actual AM parts on the macroscale undergoing large plastic deformations. Finally, a novel constitutive model for the plastic spin is formulated to capture the influence of the microstructure evolution on the material behavior on the macroscale.
Using the method of directional solidification, single crystals of experimental nickel-based superalloys with negative, zero, and positive γ/γ' misfits are obtained. The γ' solvus, solidus, and liquidus temperatures of the alloys are determined, and the microstructures of the alloys after directional solidification, heat treatment, and creep tests are investigated. Creep tests are performed at temperatures of 800 and 1000°C. It is found that single crystals of the alloy with a negative γ/γ' misfit have the highest creep resistance and lifetime (the crystal lattice period of the γ' phase is smaller than that of the γ matrix).
AbstractThe high-temperature corrosion behaviors of the equimolar CrCoNi medium-entropy alloy and CrMnFeCoNi high-entropy alloy were studied in a gas atmosphere consisting of a volumetric mixture of 10% H2O, 2% O2, 0.5% SO2, and 87.5% Ar at 800 °C for up to 96 h. Both alloys were initially single-phase fcc with a mean grain size of ~ 50 μm and a homogeneous chemical composition. The oxide layer thickness of CrMnFeCoNi increased linearly with exposure time while it remained constant at ~ 1 μm for CrCoNi. A Cr2O3 layer and minor amounts of (Co,Ni)Cr2O4 developed on the latter while three oxide layers were detected on the former, i.e., a thin and continuous chromium rich oxide layer at the oxide/alloy interface, a dense (Mn,Cr)3O4 layer in the center and a thick and porous layer of Mn3O4 and MnSO4 at the gas/oxide interface. Additionally, a few metal sulfides were observed in the CrMnFeCoNi matrix. These results were found to be in reasonable agreement with thermodynamic calculations.