TY - CONF A1 - Kindrachuk, Vitaliy T1 - Computational investigation of DGG kinetics by phase-field method N2 - Non-equilibrium microstructure evolution in additive manufacturing (AM) is a major barrier for establishing a safe and sustainable application of AM in industrial processes. The constant heat source in the AM continuously affects the just-solidified grains beneath the melting pool, leading to directional grain growth (DGG). While real-time measurements of the non-equilibrium microstructure evolution is challenging, here developing a computational framework to systematically explore DGG becomes imperative. We have advanced a comprehensive approach, integrating mean-field modeling and phase-field simulations, to elucidate the dynamics of DGG under an external driving force. Our simulations unveil a steady-state power-law grain growth kinetics during DGG, characterized by the interplay between curvature-driven dynamics at grain boundary junctions and directional driving forces. T2 - Tagung DGM Additive Fertigung CY - Bremen, Germany DA - 12.06.2024 KW - Directional grain growth KW - Phase-field simulation KW - Additive manufacturing PY - 2024 AN - OPUS4-60750 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Kling, I. C. S. T1 - Development and characterization of starch film and the incorporation of silver nanoparticles N2 - Starch is one of the biopolymers being used for bioplastic synthesis. For production, starch can be combined with different plasticizers, starches from different plant sources and even with nanomaterials to improve or to add film properties. The challenge of adding these, e.g. in the form of silver nanoparticles (AgNp) is to determine the concentration so as to avoid impairing the properties of the film, agglomeration or altering the visual characteristics of the film. In this study, a starch film synthesis route and the incorporation of silver nanoparticles has been proposed in order not to alter the properties of the film while maintaining the transparency and a clear colour of the starch film. The results showed that the proposed synthesis route is promising, efficient, reproducible, fast and the film has good mechanical properties. T2 - Semana MetalMat & Painal PEMM 2020 CY - Online meeting DA - 23.11.2020 KW - Biofilm KW - Starch KW - Starch nanoparticle KW - Silver nanoparticle PY - 2020 AN - OPUS4-51828 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Kupsch, Andreas T1 - Evolution of CFRP stress cracks observed by in situ X-ray refractive imaging N2 - Modern air-liners and wind turbine rotor blades are made up primarily of fiber reinforced plastics. Failure of these materials heavily impairs the serviceability and the operational safety. Consequently, knowledge of the failure behavior under static and cyclic loads is of great interest to estimate the operational strength and to compare the performance of different materials. Ideally, the damage evolution under operational load is determined with in-situ non-destructive testing techniques. Here, we report in-situ synchrotron X-ray imaging of tensile stress induced cracks in carbon fiber reinforced plastics due to inter-fiber failure. An inhouse designed compact tensile testing machine with a load range up to 15 kN was integrated into the beamline. Since conventional radiographs do not reveal sufficient contrast to distinguish cracks due to inter-fiber failure and micro cracking from fiber bundles, the Diffraction Enhanced Imaging (DEI) technique is applied in order to separate primary and scattered (refracted) radiation by means of an analyzer crystal. This technique allows fast measurements over large fields-of-view and is ideal for in-situ investigations. T2 - 12th BESSY@HZB User Meeting 2020 CY - Online meeting DA - 10.12.2020 KW - Carbon Fiber Reinforced Plastics KW - Crack evolution KW - Diffraction Enhanced Imaging KW - In situ tensile test KW - X-ray refraction PY - 2020 AN - OPUS4-51802 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Lehmusto, Juho T1 - Initial oxidation of the refractory high-entropy superalloy AlMo0.5NbTa0.5TiZr N2 - In contrast to traditional alloys, which are typically based on a single dominant element, high-entropy alloys (HEAs) consist of five or more principal elements in roughly equal proportions. These complex alloys often exhibit superior characteristics compared to conventional alloys, including enhanced strength and hardness, exceptional wear resistance, high structural stability, and strong resistance to oxidation. Despite these promising characteristics, the vast compositional space of HEAs means that only a limited number have been thoroughly investigated for their mechanical and chemical behavior. One notable example is the refractory high-entropy superalloy AlMo0.5NbTa0.5TiZr, which represents a newly emerging class of materials. This alloy features a nanoscale microstructure composed of B2 and bcc phases, resulting in compressive strength at elevated temperatures that surpasses that of conventional Ni-based superalloys. Such performance offers potential benefits for improving turbine efficiency in aerospace and energy generation applications. However, the alloy’s microstructure is known to be sensitive to annealing. Specifically, its mechanical properties deteriorate when intragranular hexagonal Al-Zr-based intermetallic compounds form, likely due to issues with phase stability. On the other hand, the inclusion of Al has been shown to enhance oxidation resistance. Nevertheless, HEAs are also known to develop pronounced internal aging zones caused by diffusion during oxidation processes. These findings indicate a need for further investigation into the thermodynamic stability of this alloy. In addition, its oxidation behavior—both at the surface and within the material—remains incompletely understood. This ongoing research explores the oxidation behavior of the AlMo0.5NbTa0.5TiZr alloy at temperatures ranging from 800 °C to 1000 °C. The influence of water vapor on the oxidation process is also examined. Ultimately, the goal is to integrate insights into the alloy’s structural, mechanical, and chemical characteristics at high temperatures. T2 - Gordon Research Conference - High Temperature Corrosion CY - New London, United States DA - 16.07.2023 KW - High-Entropy superalloy KW - Phase stability KW - Microstructural evolution KW - Oxidation behavior KW - High-Temperature Performance PY - 2023 AN - OPUS4-63851 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Leo, Reinhold T1 - Duplex stainless steels - Compatibility for high-pressure hydrogen applications N2 - Duplex Stainless Steels (DSS) are an essential component used in the construction of transportation pipelines because of their many distinctive qualities. The choice of DSS for a particular hydrogen application mainly depends on its susceptibility level to Hydrogen Assisted Cracking (HAC). Several mechanisms have been proposed to describe the occurring microscale processes behind HAC, and these include metastable phase transformation, Hydrogen Enhanced Localized Plasticity (HELP), and Hydrogen Enhanced Decohesion (HEDE). This contribution describes the path to ascertain if DSS is suitable for high-pressure gaseous hydrogen applications. The interplay between several critical factors that result in HAC was examined using high-pressure gaseous hydrogen charging, Electron Backscatter Diffraction (EBSD), tensile testing and hydrogen concentration measurements using Carrier Gas Hot Extraction (CGHE). T2 - Third German-African Green Hydrogen Forum 2025 CY - Bernburg (Saale), Germany DA - 23.09.2025 KW - Hydrogen Assisted Cracking KW - High Pressure Hydrogen KW - Duplex Stainless Steels KW - Hollow Specimen Technique PY - 2025 AN - OPUS4-64302 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Manzoni, Anna Maria T1 - Early Material Damage in Equimolar CrMnFeCoNi in Mixed Oxidizing/Sulfiding Hot Gas Atmosphere N2 - The use of more and more varied fuels implies an increased list of criteria that need to be addressed when choosing a material for a combustion chamber and its supply pipes. The materials must be very resistant against corrosion, especially when the process takes place at temperatures above 500°C. In this work the influence of SO2 on the surface of the “Cantor alloy” is investigated. T2 - HEA-Symposium "Potential for industrial applications" CY - Dresden, Germany DA - 12.05.2022 KW - High entropy alloy KW - Corrosion KW - Sulfiding KW - Transmission electron microscopy PY - 2022 AN - OPUS4-55397 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Mieller, Björn T1 - Characterization of Beta-Alumina Solid Electrolyte by Coin Cell Testing N2 - All solid-state batteries (ASSBs) are the subject of widespread research, one reason being their predicted increased safety [1]. Variants of beta-alumina solid electrolyte (BASE), a promising solid electrolyte for sodium ion batteries, exhibit ion conductivities up to 5 mS/cm at room temperature, which motivates targeted research and testing [2]. Dedicated measurement cells for conductivity measurements and cycling of ASSBs are available, providing even pressure and temperature control. However, these are often costly and thus unsuitable for long-term studies with many cells. In contrast, coin cells are a practical and scalable approach for such ASSB studies, despite poor pressure control and other influencing factors that may affect the reproducibility of results [3]. This study investigates the extent to which reliable measurement data can be obtained from symmetrical Na/BASE/Na coin cells. Therefore, several testing procedures and different cell architectures are considered. The experiments are supported by an electrical equivalent circuit model. The modeling approach and both measured and numerically simulated data are presented. The coin cell results are compared to data acquired using a designated ASSB setup (CompreCell and CompreFrame by RHD). T2 - XIXth Conference of the EuropeanCeramic Society / SBS6 InternationalSodium Battery Symposium CY - Dresden, Germany DA - 01.09.2025 KW - Beta aluminate solid electrolyte KW - Coin cell PY - 2025 AN - OPUS4-64055 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Miliūtė, Aistė T1 - How experimental and computational methods allow us to design negative thermal expansion materials N2 - Combined experimental and computational methods allow comprehensive understanding, design, and tailoring of material properties. We focus on a well-known negative thermal expansion (NTE) material, zirconium vanadate (ZrV2O7), and address synthesis, characterisation and validation of results with computational simulations. Experimental and computational X-ray diffraction and Raman spectroscopy data highlighted differences between phase-pure and multiphase ceramics. These techniques allowed us to distinguish subtle differences in the structure of the material. Based on ab initio simulated phonon data, unaffected by impurities or instrumental errors, we could interpret the Raman spectra and visualise Raman active atom vibrations. These computational models allowed better insight and further experimental improvement while high-quality experimental data granted the validation and improvement of computational simulation strategy. T2 - Application of Neutrons and Synchrotron Radiation in Engineering Materials Science CY - Hamburg, Germany DA - 23.03.2025 KW - NTE KW - Sol-gel KW - Ab initio KW - Raman KW - XRD PY - 2025 AN - OPUS4-62832 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Miliūtė, Aistė T1 - How experimental and computational methods allow us to design negative thermal expansion materials N2 - Combined experimental and computational methods allow comprehensive understanding, design, and tailoring of material properties. We focus on a wellknown negative thermal expansion (NTE) material, zirconium vanadate (ZrV2O7), and address synthesis, characterisation and validation of results with computational simulations. Experimental and computational X-ray diffraction and Raman spectroscopy data highlighted differences between phase-pure and multiphase ceramics. These techniques allowed us to distinguish subtle differences in the structure of the material. Based on ab initio simulated phonon data, unaffected by impurities or instrumental errors, we could interpret the Raman spectra and visualise Raman active atom vibrations. These computational models allowed better insight and further experimental improvement while high-quality experimental data granted the validation and improvement of computational simulation strategy. T2 - SALSA Make and Measure 2024 CY - Berlin, Germany DA - 11.09.2024 KW - NTE KW - Sol-gel KW - Ab initio KW - Raman KW - XRD PY - 2024 AN - OPUS4-61358 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Miliūtė, Aistė A1 - Bustamante, Joana A1 - Mieller, Björn A1 - Stawski, Tomasz A1 - George, Janine A1 - Knoop, F. T1 - High-quality zirconium vanadate samples for negative thermal expansion (NTE) analysis N2 - Zirconium vanadate (ZrV2O7) is a well-known negative thermal expansion (NTE) material which exhibits significant isotropic contraction over a broad temperature range (~150°C < T < 800°C). The linear thermal expansion coefficient of ZrV2O7 is −7.1×10-6 K-1. Therefore, it can be used to create composites with controllable expansion coefficients and prevent destruction by thermal shock. Material characterization, leading to application, requires pure, homogenous samples of high crystallinity via a reliable synthesis route. While there is a selection of described syntheses in the literature, it still needs to be addressed which synthesis route leads to truly pure and homogenous samples. Here, we study the influence of the synthesis methods (solid-state, sol-gel, solvothermal) and their parameters on the sample's purity, crystallinity, and homogeneity. The reproducibility of results and data obtained with scanning electron microscopy (SEM), X-ray diffraction (XRD), differential scanning calorimetry, and thermogravimetric analysis (DSC/TGA) were analyzed extensively. The sol-gel method proves superior to the solid-state method and produces higher-quality samples over varying parameters. Sample purity also plays an important role in NTE micro and macro-scale characterizations that explain the impact of porosity versus structural changes. Moreover, we implement ab-initio-based vibrational computations with partially treated anharmonicity (quasi-harmonic approximation, temperature-dependent effective harmonic potentials) in combination with experimental methods to follow and rationalize the negative thermal expansion in this material, including the influence of the local structure disorder, microstructure, and defects. Khosrovani et al. and Korthuis et al., in a series of diffraction experiments, attributed the thermal contraction of ZrV2O7 to the transverse thermal motion of oxygen atoms in V-O-V linkages. In addition to previous explanations, we hypothesize that local disorder develops in ZrV2O7 crystals during heating. We are working on the experimental ZrV2O7 development and discuss difficulties one might face in the process as well as high-quality sample significance in further investigation. The obtained samples are currently used in the ongoing research of structure analysis and the negative thermal expansion mechanism. T2 - TDEP2023: Finite-temperature and anharmonic response properties of solids in theory and practice CY - Linköping, Sweden DA - 21.08.2023 KW - NTE KW - Sol-gel KW - Solid-state KW - Ab-initio KW - TDEP PY - 2023 AN - OPUS4-58135 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -