TY - JOUR A1 - Holzer, Marco A1 - Johansen, Sidsel M. A1 - Christensen, Johan F.S. A1 - Smedskjaer, Morten M. A1 - Cicconi, Maria Rita A1 - de Ligny, Dominique A1 - Müller, Ralf A1 - de Camargo, Andrea S.S. A1 - Maaß, Robert T1 - Direct connection between secondary relaxation mode and fracture toughness in alkali-aluminosilicate glasses N2 - Oxide glasses are intrinsically brittle, lacking sufficient atomic-scale mechanisms that can relax mechanical stresses in the vicinity of a propagating crack. As a result, fracture is typically well-captured by considering local bond rupture at the crack tip. Here we demonstrate that barrier energies related to the low-temperature 𝛾-relaxation mode in alkali-aluminosilicate glasses are inversely related to the fracture toughness measured via standardized three-point bending fracture experiments. This holds true for both a series with varying cations (Li, Na, K) and one with varying Li concentration. The structural rationale for this finding is gained via Raman spectroscopy. The findings suggest that a fundamental structural relaxation mode measured on bulk specimens can serve as an effective guideline for fracture toughness of oxide glasses. Data for additional silicate glasses support this conclusion. KW - Fracture toughness KW - Oxide glass KW - Mechanical properties KW - Alkali-aluminosilicate glasses KW - Internal friction PY - 2026 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-651540 DO - https://doi.org/10.1016/j.mtadv.2025.100669 SN - 2590-0498 VL - 29 SP - 1 EP - 10 PB - Elsevier Ltd. CY - Amsterdam, Niederlande AN - OPUS4-65154 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Avila Calderon, Luis Alexander A1 - Schriever, Sina A1 - Hang, Y. A1 - Olbricht, Jürgen A1 - Portella, P. D. A1 - Skrotzki, Birgit T1 - Creep reference data of single-crystal Ni-based superalloy CMSX-6 N2 - The article presents creep data for the single-crystal, [001]-oriented nickel-based superalloy CMSX-6, tested at a temperature of 980 °C under initial stresses ranging from 140 MPa to 230 MPa. The constant-load creep experiments were performed in accordance with DIN EN ISO 204:2019–4 standard within an ISO 17025 accredited laboratory. A total of 12 datasets are included, each of which includes the percentage creep extension as a function of time. The data series and associated metadata were systematically documented using a data schema specifically developed for creep data of single-crystal Ni-based superalloys. This dataset serves multiple purposes: it can be used to compare with one's own creep test results on similar materials, to verify testing setups (e.g., by replicating tests on the same or comparable materials), to calibrate and validate creep models, and to support alloy development efforts. KW - NFDI MatWerk KW - Referenzdaten KW - Kriechen KW - CMSX-6 KW - Digitalisierung PY - 2026 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-654056 DO - https://doi.org/10.1016/j.dib.2025.112436 VL - 65 SP - 1 EP - 11 PB - Elsevier AN - OPUS4-65405 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Wallis, Theophilus A1 - Ratanaphan, Sutatch A1 - Darvishi Kamachali, Reza T1 - Linking atomistic and phase-field modeling of grain boundaries I: Coarse-graining atomistic structures N2 - The longstanding gap between atomistic and mesoscale simulations partly lies in the absence of a direct, physically grounded connection between atomic structure and mesoscale fields. In this work, we present a robust coarse-graining approach to systematically investigate the connection between phase-field and atomistic simulations of grain boundaries (GBs). The atomistic structures of 408 GBs in BCC-Fe and -Mo were studies to compute and analyze a continuous atomic density field. We discover a fundamental relationship between the GB density---defined as the average atomic density at the GB plane---and the GB excess free volume, an integral property of the boundary. An almost perfect linear correlation between the GB atomic density and GB excess free volume is identified. We also show that the width of BCC GBs, when scaled by the lattice constant, approaches a universal constant value. The relationships among GB density, width, and energy are systematically examined for various GB planes, and the GB energy--density correlations are classified with respect to GB types. It turns out that the atomic planes forming the GB strongly influence both the GB density and excess volume. The current results establish a dependable framework to bridge across scales, enabling density-based phase-field modeling of GBs with atomistic fidelity and enhancing the predictive reliability of mesoscale simulations. KW - Density-based model KW - Grain boundary structure KW - Grain boundary thermodynamic KW - Atomistic simulations PY - 2026 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-654872 DO - https://doi.org/10.1016/j.actamat.2025.121786 SN - 1359-6454 VL - 305 SP - 1 EP - 14 PB - Elsevier Inc. AN - OPUS4-65487 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Wallis, Theophilus A1 - Darvishi Kamachali, Reza T1 - Linking atomistic and phase-field modeling of grain boundaries II: Incorporating atomistic potentials into free energy functional N2 - The density-based phase-field model for grain boundary (GB) thermodynamics and kinetics has offered a broad range of applications in alloy and microstructure design. Originally, this model is based on a potential energy terms that is connected to the cohesive energy of a given substance. A more rigorous approach, however, is a full consideration of an interatomic potential over the possible range of distance and therefore density. In Manuscript I of this series, we developed and thoroughly analyzed the coarse-graining of atomistic GB structures. In this work (Manuscript II), we complete the coupling between atomic and mesoscale modeling of GBs by incorporating the full interatomic potentials into the density-based free energy functional. Using GB energies calculated from atomistic simulations, the coarse-graining approach and the atomistic-integrated density-based Gibbs free energy, we effectively evaluate the density gradient energy coefficient. We found that coupling the density-based model with atomistic potentials reveal physically-sound trends in the GB equilibrium properties. A universal equation was derived to describe the potential energy contribution to the GB energy and the gradient energy coefficient for BCC-Fe and -Mo GBs, similar to the universal equation for GB excess free volume presented in Manuscript I. The proposed approach provides a mesoscale density-based model rooted in atomic-scale characteristics for reliable predictions of GB properties. KW - Density-based model KW - Phase-field KW - Grain boundary structure KW - Grain boundary thermodynamics PY - 2026 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-654904 DO - https://doi.org/10.1016/j.actamat.2025.121787 SN - 1359-6454 VL - 305 SP - 1 EP - 17 PB - Elsevier AN - OPUS4-65490 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Rodricks, Carol Winnifred A1 - Prockat, Annabell A1 - Kalinka, Gerhard A1 - Trappe, Volker T1 - Novel Recyclable Hierarchical Carbon Fiber/Epoxy Composites: Preserving Fiber Length and Orientation Using Elium N2 - Current recycling methods for polymer matrix composites produce short, unoriented carbon fibers, limiting their use to intermediate‐strength applications. A method is therefore needed to recycle fibers while preserving their original length and orientation, enabling a circular economy for carbon fiber composites. This study proposes a novel hierarchical composite designed to retain fiber length and orientation during recycling. Virgin carbon fibers are encased in an insoluble epoxy matrix to form tapes that act as the primary units of the structure. The primary tape matrix shields the fibers from chemical degradation while preserving their alignment throughout recycling. The tapes are then embedded in a secondary recyclable matrix, Elium, a thermoplastic polymer soluble in acetone with mechanical properties comparable to epoxy. The composite is recycled by dissolving the secondary Elium matrix in acetone and recovering the primary tape units with intact fiber length and orientation. The primary units can then be used to assemble new composites. In this study, hierarchical composite laminates underwent recycling up to three times. Their mechanical properties were assessed after each cycle. Laminates with an Elium secondary matrix retained 60%–90% of the mechanical performance of epoxy‐based laminates. Minimal degradation was observed between cycles, and fiber length, orientation, and volume fraction were fully preserved. Pushout tests confirmed that fibers in the primary tapes were sufficiently shielded during the recycling process. These results validate the feasibility of a hierarchical recyclable composite that combines recyclability with high mechanical performance, serving as a proof of concept and providing opportunities for future development. KW - Review KW - Interface KW - Micromechanics KW - Polymer matrix composites KW - Glass fibre reinforced composites PY - 2026 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-655276 DO - https://doi.org/10.1002/pc.70869 SN - 0272-8397 SP - 1 EP - 16 PB - Wiley Periodicals LLC. AN - OPUS4-65527 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Ferrari, Bruno A1 - Fantin, Andrea A1 - Said, D. A1 - Fitch, A. N. A1 - Suárez Ocano, Patricia A1 - Mishurova, Tatiana A1 - Roveda, Ilaria A1 - Kromm, Arne A1 - Darvishi Kamachali, Reza A1 - Bruno, Giovanni A1 - Evans, Alexander A1 - Requena, G. A1 - Agudo Jácome, Leonardo A1 - Serrano Munoz, Itziar T1 - The impact of scanning strategy on cell structures in PBF-LB/M/IN718: an in situ synchrotron x-ray diffraction study N2 - In additive manufacturing, any change of the process parameters, such as scanning strategy, directly affects the cooling rates, heat accumulation, and overall thermal history of the build. Consequently, parts built with different process parameters tend to have different levels of crystallographic texture, residual stress, and dislocation density. These features can influence the properties of the material and their development during post-processing operations. In this study, IN718 prisms were built by laser powder bed fusion (PBF-LB/M) using two different scanning strategies (continuous 67° rotations around the build direction, ROT, and alternating 0°/67° scans, ALT) to provide two different as-built conditions. In situ time-resolved synchrotron diffraction was performed during a solution heat treatment at 1027 °C for 1 h. Ex situ scanning electron microscopy was used to support and complement the in situ observations. An approach to quantify the effect of elemental microsegregation at the cell walls is developed based on the deconvolution of asymmetric γ-nickel matrix peaks. Following this approach, the scanning strategies are shown to affect the as-built fraction of cell walls in the material, resulting in a difference of approximately 5 %, in weight fraction, between ROT and ALT (19 % vs. 24 %, respectively). This microsegregation was observed to be rapidly homogenized during the heating ramp, and no significant changes to the peak shape in the γ peaks occurred during the isothermal part of the heat treatment, regardless of the scanning strategy. KW - Additive manufacturing KW - Inconel 718 KW - Synchrotron x-ray diffraction KW - Heat treatment KW - Laser powder bed fusion KW - Cellular microstructure PY - 2026 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-650958 DO - https://doi.org/10.1016/j.jmrt.2025.11.214 SN - 2238-7854 VL - 41 SP - 593 EP - 608 PB - Elsevier B.V. AN - OPUS4-65095 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Hickel, Tilmann A1 - Waske, Anja A1 - Tehranchi, Ali A1 - Bhattacharya, Biswajit A1 - Stawski, Tomasz M. A1 - Fellinger, Tim-Patrick A1 - Mehmood, Asad A1 - Witt, Julia A1 - Ozcan, Ozlem A1 - Guilherme Buzanich, Ana A1 - Kumar, Sourabh A1 - Mishra, Rajesh Kumar A1 - Holzer, Marco A1 - Stucchi de Camargo, Andrea Simone A1 - Agudo Jácome, Leonardo A1 - Manzoni, Anna A1 - Fantin, Andrea A1 - John, Elisabeth A1 - Hodoroaba, Vasile-Dan A1 - Bührig, Sophia A1 - Murugan, Jegatheesan A1 - Marschall, Niklas A1 - George, Janine A1 - Darvishi Kamachali, Reza A1 - Maaß, Robert A1 - Emmerling, Franziska T1 - Chemically complex materials enable sustainable high-performance materials N2 - Chemically complex materials (CCMats) 􀀀 including high-entropy alloys, oxides, and related multi-principal element systems 􀀀 offer a paradigm shift in materials design by leveraging chemical diversity to simultaneously optimize functional, structural, and sustainability criteria. The vastness of the compositional and structural space in CCMats propels the field into an expanding exploratory state. To reconcile functional and structural performance across this immense parameter space remains an open challenge. This Perspective evaluates the opportunities and challenges associated with harnessing chemical complexity across a broad spectrum of applications, such as hydrogen storage, ionic conductors, catalysis, magnetics, dielectrics, semiconductors, optical materials, and multifunctional structural systems. It is delineated how three central design strategies: targeted substitution (SUB), defect engineering (DEF), and diversity management (DIV) enable the reconciliation of high functional performance with long-term structural stability and environmental responsibility. Advances in computational thermodynamics, microstructure simulations, machine learning, and multimodal characterization are accelerating the exploration and optimization of CCMats, while robust data infrastructures and automated synthesis workflows are emerging as essential tools for navigating their complex compositional space. By fostering cross-disciplinary knowledge transfer and embracing data-driven design, CCMats are poised to deliver next-generation materials solutions that address urgent technological, energy, and environmental demands. KW - Chemically complex materials KW - Structural stability KW - Functional performance KW - Design strategies KW - Sustainability PY - 2026 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-655598 UR - https://www.sciencedirect.com/science/article/pii/S1359028626000033?via%3Dihub DO - https://doi.org/10.1016/j.cossms.2026.101256 SN - 1359-0286 VL - 42 SP - 1 EP - 26 PB - Elsevier Ltd. CY - Amsterdam AN - OPUS4-65559 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Rosalie, Julian A1 - Hohenwarter, A. T1 - Dynamic Precipitation during High-Pressure Torsion of a Magnesium–Manganese Alloy N2 - An ultrafine-grained magnesium alloy has been produced through room temperature high-pressure torsion (HPT) of solutionized Mg–1.35 wt% Mn. Dynamic precipitation of nanometer-scale Mn particles occurs during deformation. These particles populate the grain boundaries, acting as pinning sites which allow the alloy to develop a grain size of 140 nm after 0.5 rotations. Further, HPT deformation results in a gradual increase in grain size with no increase in precipitate size. Despite the extensive deformation applied, the alloy does not develop a bimodal grain structure and retains a grain size of 230 nm after 10 complete rotations, demonstrating the stability and effectiveness of these pinning particles. KW - Grain-boundary pinning KW - Magnesium alloys KW - High-pressure torsion KW - Severe plastic deformation KW - Ultrafine-grained materials PY - 2026 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-656471 DO - https://doi.org/10.1002/adem.202500424 SN - 1527-2648 VL - 28 IS - 4 SP - 1 EP - 9 PB - Wiley AN - OPUS4-65647 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kärcher, Victor A1 - Reiker, Tobias A1 - da Costa, Pedro F.G.M. A1 - de Camargo, Andrea S.S. A1 - Zacharias, Helmut T1 - Quantum control in size selected semiconductor quantum dot thin films N2 - We introduce a novel technique for coherent control that employs resonant internally generated fields in CdTe quantum dot (QD) thin films at the L-point. The bulk band gap of CdTe at the L-point amounts to 3.6 eV, with the transition marked by strong Coulomb coupling. Third harmonic generation (λ3 = 343 nm, hν = 3.61 eV) for a fundamental wavelength of λ 1 = 1,030 nm is used to control quantum interference of three-photon resonant paths between the valence and conduction bands. Different thicknesses of the CdTe QDs are used to manipulate the phase relationship between the external fundamental and the internally generated third harmonic, resulting in either suppression or strong enhancement of the resonant third harmonic, while the nonresonant components remain nearly constant. This development could pave the way for new quantum interference–based applications in ultrafast switching of nanophotonic devices. KW - Nonlinear nanophotonics KW - Quantum interference KW - Third harmonic KW - Coherent control KW - Thin films KW - Quantum dots PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-625859 DO - https://doi.org/10.1515/nanoph-2024-0529 VL - 14 IS - 2 SP - 229 EP - 239 PB - Walter de Gruyter GmbH AN - OPUS4-62585 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Arai, Marylyn Setsuko A1 - Ravaro, Leandro Piaggi A1 - Brambilla, Gabriel A1 - Maia, Lauro June Queiroz A1 - Reza Dousti, Mohammad A1 - de Camargo, Andrea Simone Stucchi T1 - Upconverting Nanoparticles and Cu(I) Complex-Based Platform for Oxygen Sensing, Thermometry, and Emission Color Tuning N2 - Multifunctional nanoplatforms combine different material properties to meet a wide range of applications, allowing highly customizable systems. In this rapidly advancing research field, we introduce a multifunctional nanomaterial based on the synergy between Tm3+-doped upconverting nanoparticles (UCNPs) and a Cu(I) complex (CuCom). This material is designed for oxygen sensing, optical thermometry, and emission color tuning. In various concentrations, the CuCom complex was electrostatically integrated into a mesoporous silica shell surrounding the core UCNPs (UCNP@mSiO2). The optimized system, UCNP@mSiO2@CuCom-10, was evaluated for different applications. Due to the spectral overlap between the CuCom absorption and the nanoparticles emission, excitation at 980 nm allows most of the UV-blue emission output from the UCNPs to be transferred to the CuCom via luminescent resonance energy transfer (LRET), producing red emission from the molecule. The remaining Tm3+ emission enables optical thermometry, while CuCom’s sensitivity to molecular oxygen supports its application in gas sensing. In upconversion mode, the nanoplatform achieved a Stern−Volmer constant for O2 sensing of 1.64 and demonstrated thermometric relative sensitivities of 0.9% and 1% K−1 at room temperature, with a linear response from 193 to 373 K. Additionally, the emission color of UCNP@mSiO2@CuCom-10 can be tuned from blue to white and yellow, by varying the excitation and temperature, adding further functionality to the system. This multifunctional platform suggests promising applications in biology, medicine, and environmental monitoring. KW - M KW - O2 sensing KW - Upconversion KW - Luminescence resonance energy transfer (LRET) KW - Optical thermometry KW - Mesoporous silica shell PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-625869 SN - 2574-0970 DO - https://doi.org/10.1021/acsanm.4c06351 VL - 8 SP - 854 EP - 862 PB - American Chemical Society (ACS) AN - OPUS4-62586 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Valentini, Martino A1 - De Almeida, Olivier A1 - Kakkonen, Markus A1 - Kalinka, Gerhard A1 - Dorigato, Andrea A1 - Kallio, Pasi A1 - Fredi, Giulia T1 - Effect of fiber surface state on the thermomechanical and interfacial properties of in situ polymerized polyamide 6/basalt fiber composites N2 - This study investigates the thermomechanical properties and interfacial adhesion of novel in-situ polymerized anionic polyamide 6 (aPA6) composites reinforced with basalt fibers (BF). The impact of different BF surface states - as-received (BFa), ethanol-washed (BFw), and thermally desized (BFu) on composite performance is examined through a comprehensive approach. For the first time, anionic PA6/BF composites with very low residual monomer content were successfully produced via thermoplastic resin transfer molding (tRTM). The PA6/BFw composites exhibited the highest interlaminar/interfacial shear strength in short beam shear test (52 ±8 MPa) and fiber push out test (34 ± 11 MPa) tests. Fiber microdebonding test, performed only on PA6/BFw, yielded a low interfacial shear strength (12 ± 4 MPa), which was attributed to droplet porosity resulting from concurrent polymerization and crystallization. Thermal desizing significantly deteriorated interfacial strength (19.6 ± 1.2 MPa in short beam shear test). This multi-technique characterization provides insights into optimizing the fiber–matrix adhesion in these advanced thermoplastic composites. KW - Anionic Polyamide 6 KW - Reactive thermoplastics KW - Basalt fibers KW - Microdebonding KW - Fiber push out KW - Short beam shear test PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-623596 DO - https://doi.org/10.1016/j.compositesa.2024.108681 SN - 1878-5840 VL - 190 SP - 1 EP - 15 PB - Elsevier Ltd. CY - Niederlande AN - OPUS4-62359 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Rosenbusch, Sjard Mathis A1 - Diercks, Philipp A1 - Kindrachuk, Vitaliy A1 - Unger, Jörg F. T1 - Integrating custom constitutive models into FEniCSx: A versatile approach and case studies N2 - The development and integration of user-defined constitutive relationships into finite element (FE) tools using standardized interfaces play a pivotal role in advancing the capabilities of FE solvers for structural mechanics applications. While commercial FE solvers like Abaqus and Ansys have designed their interfaces to provide custom stresses, tangents, and updated history variables, the open-source solver FEniCSx remains efficient only when the constitutive update has an analytical representation. This restricts the application of FEniCSx for non-linear structural mechanics. Since FEniCSx has become a powerful and popular open-source tool for solving partial differential equations, particularly due to its automatic computation of Hessians, we aim to develop a generalized interface to enhance its capability for constitutive modeling. This approach will address complex constitutive equations that require iterative solutions at the quadrature point level. Specific implementation challenges, such as using return-mapping procedures, can then be managed commonly. The provided interface for custom constitutive models offers a versatile way to implement them in various languages, including C++, Python, Rust, and Fortran. Finally, with UMATs for viscoplastic models as an example, we demonstrate how existing user subroutines can be incorporated into the interface and utilized within the FEniCSx framework. KW - Finite element method KW - Constitutive models KW - FEniCSx KW - UMAT KW - Rust KW - Python KW - C++ PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-630439 DO - https://doi.org/10.1016/j.advengsoft.2025.103922 SN - 0965-9978 VL - 206 SP - 1 EP - 11 PB - Elsevier CY - Amsterdam AN - OPUS4-63043 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Pfennig, A. A1 - Simkin, Roman T1 - Identifying the initial corrosion fatigue failure based on dropping electrochemical potential N2 - The corrosion fatigue of duplex stainless-steel X2CrNiMoN22-5-3 can be determined by purely alternating axial cyclic load to failure using hour-glass shaped specimens. The experimental setup comprises a corrosion chamber allowing for the circulation of an aquifer electrolyte heated to 369 K simulating a carbon capture and storage as well as geothermal power plant environment. During engineering of a carbon storage site or geothermal power plant, it may be crucial to determine the failure onset of a component beforehand. Therefore, an algorithm with 93.3% reliability was established based on splitting the measured potential values into ten time series with a capacity of ten values. The failure of corrosion fatigue specimens in a geothermal environment correlates to the drop of the curves of the electrochemical potential which is measured simultaneously within the corrosion chamber. Crack initiation was, therefore, successfully derived from the electrochemical potential. KW - Corrosion fatigue KW - Surface corrosion KW - CO2 KW - Crack initiation KW - Geothermal energy production PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-629310 DO - https://doi.org/10.3390/app15010403 SN - 2076-3417 VL - 15 IS - 1 SP - 1 EP - 15 PB - MDPI CY - Basel AN - OPUS4-62931 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kumar, Sumit A1 - Swaminathan, Srinivasan A1 - Hesse, Rene A1 - Goldbeck, Hennig A1 - Ding, Wenjin A1 - Bonk, Alexander A1 - Bauer, Thomas T1 - Understanding the effect of oxide ions on Solar Salt chemistry and corrosion mechanism of 316L stainless steel at 600 °C N2 - Solar Salt (60 wt% NaNO3, 40 wt% KNO3), used in Concentrated Solar Power (CSP) Thermal Energy Storage (TES) technology, can decompose into various products at elevated temperatures, with oxide ions being one of the known corrosive byproducts. The study mimics Solar Salt aging by intentionally adding sodium peroxide (Na2O2) and sodium oxide (Na2O) at concentrations of 0.005–0.33 wt% to investigate their role in the corrosion of austenitic stainless steel at 600 °C in typical operating conditions. Salt chemistry (nitrite, nitrate, oxide ions, and metal cations) was analyzed every 24 h, and steel corrosion after 168 h was assessed by weight change, corrosion rate, phase analysis, and cross-sectional morphology. Results reveal that at or above 0.135 wt% added Na2O2/Na2O leads to a quasi-steady-state equilibrium of oxide ions in the salt. Interestingly, at these concentrations, the presence of steel further decreases oxide ion concentration. Furthermore, above 0.135 wt%, the corrosion rate increases significantly, along with increased spallation, porosity and disintegration of the corrosion layer, forming a non-protective layer. This study highlights the critical role of oxide ions in the corrosion process. KW - Solar Salt KW - High temperature corrosion KW - Thermal Energy Storage KW - Alkali oxides KW - Austenitic stainless steel PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-628463 DO - https://doi.org/10.1016/j.corsci.2025.112849 SN - 1879-0496 VL - 249 SP - 1 EP - 17 PB - Elsevier Ltd. AN - OPUS4-62846 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schraa, Lucas A1 - Rodricks, Carol A1 - Kalinka, Gerhard A1 - Roetsch, Karl A1 - Scheffler, Christina A1 - Sambale, Anna A1 - Uhlig, Kai A1 - Stommel, Markus A1 - Trappe, Volker T1 - Characterisation and Modelling of the Fibre-Matrix Interface of Short Fibre Reinforced Thermoplastics using the Push-Out Technique N2 - This study investigates the suitability of the single fibre push-out (SFPO) test for the determination of the interfacial shear strength (IFSS) of injection moulded short fibre reinforced thermoplastics. It includes a detailed description of the required sample preparation steps and the boundary conditions of the SFPO setup. Experimental SFPO tests were carried out on PA66 GF, PPA GF35 and PA6 GF50 materials. Furthermore, a finite element model was set up to simulate the behaviour of these materials during this test. The numerical results showed that the inhomogeneous stress distribution in the fibre-matrix interphase during the test causes the measured apparent IFSS to underestimate the true strength of the interphase. The simulations put the experimental results into perspective and provide valuable information for the further development of the test setup. This study therefore not only provides new insights into the interphase strength of injection moulded short fibre reinforced thermoplastics, but also an insight into local load conditions during testing and thus an indication of the true IFSS. KW - GFRP KW - Interface KW - fibre matrix bond KW - single fibre push-out PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-626087 DO - https://doi.org/10.1016/j.compositesb.2025.112317 SN - 1879-1069 VL - 297 SP - 1 EP - 8 PB - Elsevier Ltd. CY - Niederlande AN - OPUS4-62608 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schilling, Markus A1 - Marschall, Niklas A1 - Niebergall, Ute A1 - Böhning, Martin T1 - Modernizing FNCT data handling in polymer labs: Towards efficient management N2 - A streamlined Python-based workflow for transforming Full-Notch Creep Test (FNCT) data into organized, machine-actionable formats is presented. The workflow automates the conversion of raw FNCT data from classic CSV and Excel files into structured outputs that facilitate future semantic integration. Emphasizing practical data handling, the approach includes automation scripts for efficient data extraction, transformation, and storage, which culminate in well-ordered files. This transformation paves the way for potential semantic data integration and facilitates access for users with varying levels of digital experience to enhanced data management in polymer research and testing. KW - PE-HD KW - Full-Notch Creep Test (FNCT) KW - Environmental Stress Cracking (ESC) KW - Data Interoperability KW - FAIR Data KW - Semantic Data PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-637826 DO - https://doi.org/10.1016/j.commatsci.2025.114085 SN - 0927-0256 VL - 259 SP - 1 EP - 5 PB - Elsevier B.V. AN - OPUS4-63782 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Clozel, Melanie A1 - Neumann, Christian A1 - Thore, Johannes A1 - Kolbe, Matthias A1 - Yang, Fan A1 - Gutowski, Olof A1 - Dippel, Ann-Christin A1 - Ruschel, Lucas M. A1 - Busch, Ralf A1 - Altenbach, Christoph A1 - Akuata, Chijioke Kenneth A1 - Zander, Daniela A1 - Wilbig, Janka A1 - Meyer, Andreas T1 - Microstructure formation during gas flow-assisted additive manufacturing of a metallic glass powder on ground and in microgravity N2 - We studied bulk metallic glasses produced from gas flow-assisted laser-based powder bed fusion process, which is capable of additive manufacturing metallic parts in microgravity. A Zr-based bulk metallic glass composition Zr₅₉ˏ₃Cu₂₈ˏ₈Al₁₀ˏ₄Nb₁ˏ₅ has been processed on ground and in microgravity in a compact sounding rocket payload MARS-M. Microstructure characterization was performed using electron microscopy and X-ray diffraction computed tomography, which cope with small amounts of sample materials, especially for those fabricated under microgravity conditions. Very similar microstructures and crystalline fractions are observed in sample manufactured on ground and in microgravity, which shows that process parameters of conventional laser powder bed fusion for manufacturing metallic glasses can be transferred to the processes in microgravity. Two different origins of crystallization have been identified in the Zr₅₉ˏ₃Cu₂₈ˏ₈Al₁₀ˏ₄Nb₁ˏ₅ sample. The preferred occurrence of CuZr₂ at the interlayer boundaries is likely a result of recrystallization from the undercooled melt and hence associated with laser scanning strategy. In contrast, the more uniformly distributed Al₃Zr₄ phase is considered to be triggered by the formation of Cu₂Zr₄O. Thus, for the fabrication of fully amorphous builds both on ground and in space, our findings point to higher scanning speeds and lower oxygen contents, while the latter can also be used to tune the crystalline fractions in the sample. KW - Gas flow-assisted laser-based powder bed fusion KW - Microgravity KW - Glass-forming alloys KW - X-ray diffraction tomography PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-641253 DO - https://doi.org/10.1007/s40964-025-01275-2 SN - 2363-9512 SP - 1 EP - 14 PB - Springer Science and Business Media LLC CY - Cham, Switzerland AN - OPUS4-64125 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Paskin, Alice A1 - Couasnon, Thaïs A1 - Blukis, Roberts A1 - Perez, Jeffrey Paulo H. A1 - Reinsch, Stefan A1 - Roddatis, Vladimir A1 - Syczewski, Marcin A1 - Benning, Liane G. T1 - Temperature-Induced Phase Transitions of Vivianite: In Situ Analysis of a Redox-Driven Crystallization N2 - We document a solid-state, temperature-dependent (25−700 °C), multistage redox transformation of crystalline ferrous iron phosphate, vivianite (Fe3(PO4)2·8H2O). Under anoxic conditions, vivianite breaks down at T > 250 °C into an anhydrous, amorphous intermediate Fe3(PO4)2 phase, yet the bulk shape and morphology of the starting vivianite crystals were retained. This amorphous intermediate phase remained stable until T > 500 °C, after which a redox-dependent crystallization into two different minerals was observed. Under anoxic conditions, the amorphous ferrous intermediate (Fe3(PO4)2) transformed into the crystalline ferrous phosphate (graftonite, (Fe2+)3(PO4)2), while under oxic conditions it crystallized into a ferric phosphate (rodolicoite, Fe3+PO4). Graftonite formation occurs via an exothermic molar enthalpy (ΔHcryst) of −16.7 ± 0.2 kJ mol−1. Rietveld refinements of the two crystalline endmembers (vivianite and graftonite) revealed a unit cell volume decrease of ∼3.1% during the transformation, which was observed by in situ electron microscopic observations as an overall shrinking of the initial vivianite crystals. Despite volume loss and bubble-like features, the original vivianite shape was preserved, indicating a solid-state pseudomorphic transformation. Ex situ XRD and TEM-EELS analyses confirmed the ferrous-to-ferric oxidation, forming rodolicoite, through changes in the Fe geometry and oxidation state. KW - Vivianite KW - Graftonite KW - Crystallization enthalpy KW - Ferrous phosphates PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-640782 DO - https://doi.org/10.1021/acs.inorgchem.5c02399 SN - 0020-1669 VL - 46 IS - 36 SP - 18227 EP - 18236 PB - American Chemical Society (ACS) AN - OPUS4-64078 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Rosenbusch, Ivo A1 - Arai, Marylyn Setsuko A1 - Rizzo, Fabio A1 - de Camargo, Andrea S. S. A1 - Ravoo, Bart Jan T1 - A host–guest approach to ratiometric pH sensing using upconversion nanoparticles N2 - A new pH nanosensor based on β-NaYF4:Yb3+/Tm3+ upconversion nanoparticles functionalized with cyclodextrin and a pH-sensitive adamantane-modified nitrobenzoxadiazole dye (NBD-Ad). KW - Host-guest materials KW - Upconversion nanoparticles KW - Ratiometric optical sensors KW - pH sensing PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-637722 DO - https://doi.org/10.1039/d5na00145e SN - 2516-0230 VL - 7 IS - 13 SP - 4142 EP - 4151 PB - Royal Society of Chemistry (RSC) AN - OPUS4-63772 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Xie, Zhuocheng A1 - Atila, Achraf A1 - Guénolé, Julien A1 - Korte-Kerzel, Sandra A1 - Al-Samman, Talal A1 - Kerzel, Ulrich T1 - Predicting grain boundary segregation in magnesium alloys: An atomistically informed machine learning approach N2 - Grain boundary (GB) segregation substantially influences the mechanical properties and performance of magnesium (Mg). Atomic-scale modeling, typically using ab-initio or semi-empirical approaches, has mainly focused on GB segregation at highly symmetric GBs in Mg alloys, often failing to capture the diversity of local atomic environments and segregation energies, resulting in inaccurate structure-property predictions. This study employs atomistic simulations and machine learning models to systematically investigate the segregation behavior of common solute elements in polycrystalline Mg at both 0 K and finite temperatures. The machine learning models accurately predict segregation thermodynamics by incorporating energetic and structural descriptors. We found that segregation energy and vibrational free energy follow skew-normal distributions, with hydrostatic stress, an indicator of excess free volume, emerging as an important factor influencing segregation tendency. The local atomic environment’s flexibility, quantified by flexibility volume, is also crucial in predicting GB segregation. Comparing the grain boundary solute concentrations calculated via the Langmuir-McLean isotherm with experimental data, we identified a pronounced segregation tendency for Nd, highlighting its potential for GB engineering in Mg alloys. This work demonstrates the powerful synergy of atomistic simulations and machine learning, paving the way for designing advanced lightweight Mg alloys with tailored properties. KW - Machine learning KW - Grain boundary segregation KW - Magnesium alloys KW - Atomistic simulation PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-638499 DO - https://doi.org/10.1016/j.jma.2025.03.021 SN - 2213-9567 VL - 13 IS - 6 SP - 2636 EP - 2650 PB - Elsevier B.V. AN - OPUS4-63849 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Lemiasheuski, Anton A1 - Wehrkamp, F. A1 - Bajer, Evgenia A1 - Sonnenburg, Elke A1 - Göbel, Artur A1 - Porohovoj, Ilja A1 - Bettge, Dirk A1 - Pfennig, Anja T1 - Practical application of an automated 3D metallography system for the reconstruction and microstructural analysis of porosity in a sintered steel N2 - In the 3D microstructural analysis of a digital twin of porosity in the sintered steel Astaloy CrA, pore shape, average pore size as well as pore distribution will be analyzed. Porosity plays a major role in powder-metallurgical materials since it greatly impacts the mechanical properties of these materials and therefore represents a key parameter in their characterization. Based on the robot-assisted automated serial sectioning and imaging (RASI) system of the Federal Institute for Materials Research and Testing (BAM, Bundesanstalt für Materialforschung und Prüfung) in Berlin, the technique of metallographic serial sectioning will be used to image the microstructure and reconstruct a digital 3D twin from the stack of images obtained. Compared with an individual 2D microsection, the quantitative microstructural analysis of this 3D twin will enable more accurate conclusions on the shape, size and distribution of pores. This paper will detail the key steps in 3D microstructural analysis, including the metallographic preparation routine, the imaging technique, image alignment as well as the segmentation of pores. After the methodology has been described, the results of the quantitative microstructural analysis will be presented and the validity of quantitative parameters of 3D and 2D images will be compared and discussed. The analysis of more than 10,000 pores revealed a correlation between pore shape and pore size. It was also found that a 2D representation of the material surface is insufficient for a precise quantitative characterization of porosity. N2 - In der 3D-Gefügeanalyse eines digitalen Zwillings von Poren in einem Sinterstahl des Typs Astaloy CrA werden sowohl die Porenform als auch die durchschnittliche Porengröße und -verteilung analysiert. Die Porosität spielt in pulvermetallurgischen Werkstoffen eine große Rolle, da sie erheblich die mechanischen Eigenschaften beeinflusst und daher bei der Charakterisierung dieser Werkstoffe ein wichtiger Parameter ist. Basierend auf der Verwendung des Robot-Assisted Automated Serial-Sectioning and Imaging (RASI)-Systems der Bundesanstalt für Materialforschung und Prüfung (BAM) in Berlin, wird das metallographische Serienschnittverfahren genutzt, um das Gefüge aufzunehmen und aus dem Bildstapel einen digitalen 3D-Zwilling zu rekonstruieren. Verglichen zu einem 2D-Einzelschliff ermöglicht die quantitative Gefügeanalyse dieses 3D-Zwillings präzisere Aussagen zu Porenform, -größe und -verteilung. Diese Arbeit beschreibt die wesentlichen Schritte, die für eine 3D-Gefügeanalyse nötig sind, darunter die metallografische Präparationsroutine, das Bildgebungs-Verfahren, das Alignment der Bilder sowie die Segmentierung der Poren. Im Anschluss an die methodische Darstellung werden die Ergebnisse der quantitativen Gefügeanalyse präsentiert und ein Vergleich zwischen der Aussagekraft der quantitativen Parameter von 3D- und 2D-Abbildungen diskutiert. Bei der Analyse von über 10.000 Poren konnte eine Korrelation zwischen der Form und der Porengröße aufgezeigt werden. Weiterhin konnte aufgezeigt werden, dass eine 2D-Abbildung der Werkstoffoberfläche nicht ausreichend für eine eindeutige quantitative Beschreibung der Porosität ist. KW - 3D Metallographie KW - RASI KW - Porenstruktur PY - 2025 DO - https://doi.org/10.1515/pm-2025-0049 SN - 2195-8599 VL - 62 IS - 8 SP - 516 EP - 535 PB - De Gruyter Brill AN - OPUS4-63930 LA - mul AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Colombo, Marta A1 - Mostoni, Silvia A1 - Fredi, Giulia A1 - Rodricks, Carol A1 - Kalinka, Gerhard A1 - Riva, Massimiliano A1 - Vassallo, Andrea A1 - Di Credico, Barbara A1 - Scotti, Roberto A1 - Zappalorto, Michele A1 - D'Arienzo, Massimiliano T1 - Interfacial Chemistry Behind Damage Monitoring in Glass Fiber‐Reinforced Composites: Attempts and Perspectives N2 - Glass Fiber Reinforced Polymers (GFRPs) are widely used in structural applications but degrade over time due to internal damage. Structural Health Monitoring (SHM) enables early damage detection, improving reliability and reducing maintenance costs. Traditional SHM methods are often invasive and expensive. An emerging solution involves the embedding of carbon‐based filler like carbon nanotubes and reduced graphene oxide into GFRPs, forming conductive networks that detect damage through resistance changes. However, poor adhesion among GF, filler, and matrix can reduce mechanical performance. Therefore, tailoring GF and filler surface chemistry is essential to enhance durability and enable effective self‐sensing properties. This review summarizes the most recent efforts in modifying GF with carbon‐based filler to design GFRP with improved sensing ability and mechanical performance. After a brief introduction on the role of SHM solutions in early damage detection, an overview of the common GF and filler used in GFRPs will be provided. Then, the most relevant GF modification strategies exploited to incorporate carbon‐based filler in GFRPs will be described, focusing on the chemical grafting approach, which allows a careful optimization of the fiber/matrix interface. Last, a concise summary of the key mechanical and electrical tests to evaluate interfacial adhesion and self‐sensing will be supplied. KW - Review KW - Interface KW - Micromechanics KW - Polymer matrix composites KW - Glass fibre reinforced composites PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-639934 DO - https://doi.org/10.1002/pc.70332 SN - 0272-8397 SP - 1 EP - 30 PB - Wiley AN - OPUS4-63993 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Waurischk, Tina A1 - Deubener, J. A1 - Müller, Ralf T1 - Internal friction and energy dissipation during fracture in silicate glasses N2 - To obtain a deeper insight into the nature of energy dissipation during fracture, the internal friction of 13 borosilicate, aluminosilicate, soda-lime, and lead-containing glasses, for which inert crack growth data are known, was measured using dynamic mechanical thermal analysis. For asymmetrically bent glass beams, the loss tangent, tan δ, was determined between 0.2 and 50 Hz at temperatures between 273 K and the glass transition temperature, Tg. It was found that the area under the tan δ vs T·Tg−1 curve correlates with the crack growth exponent, n, in the empirical v = v0·KIn relation between crack growth velocity, v, and stress intensity, KI, which indicates that n correlates with the degree of energy dissipation of sub-Tg relaxation phenomena. KW - Glass KW - Internal friction KW - Crack growth PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-631582 DO - https://doi.org/10.1063/5.0255432 SN - 0021-9606 VL - 162 IS - 19 SP - 1 EP - 9 PB - AIP Publishing AN - OPUS4-63158 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Pan, Z. A1 - Waurischk, Tina A1 - Duval, A. A1 - Müller, Ralf A1 - Deubener, J. A1 - Krishnan, N. M. A. A1 - Wondraczek, K. A1 - Wondraczek, L. T1 - Precise Real‐Time Measurement of Liquid Viscosity Using Digital Video Data N2 - Quantitative knowledge of liquid viscosity is of fundamental importance in many areas of materials synthesis and processing. However, the determination of viscosity often relies on specialized experimental equipment, offline experimentation, or invasive procedures, in particular when required in extreme conditions such as at high temperature, high pressure, and in confined or corrosive environments. Here, this study proposes and validates a fast and simple method that mimics the intuitive perception of liquid flow within a quantitative framework. For this, this study employs digital video observation to derive quantitative values of the shear viscosity of liquids, with high precision and rapid acquisition rates. The technique involves capturing liquid dynamics after minor mechanical stimulation. Processed imaging data are indexed by similarity and referenced to a digital database generated with a finite element model, from which values of viscosity are obtained in line. The approach is tested on water at room temperature and on a high‐temperature glass melt. Covering a viscosity range of four orders of magnitude, both yield convincing agreement with tabulated reference data at low computational cost. KW - Image analyses KW - Liquids KW - Materials discovery KW - Similarity analyses KW - Viscosities PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-634606 DO - https://doi.org/10.1002/aisy.202500297 SN - 2640-4567 SP - 1 EP - 12 PB - Wiley AN - OPUS4-63460 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Chen, Ya‐Fan A1 - Arendt, Felix A1 - Bornhöft, Hansjörg A1 - de Camargo, Andréa S. S. A1 - Deubener, Joachim A1 - Diegeler, Andreas A1 - Gogula, Shravya A1 - Contreras Jaimes, Altair T. A1 - Kempf, Sebastian A1 - Kilo, Martin A1 - Limbach, René A1 - Müller, Ralf A1 - Niebergall, Rick A1 - Pan, Zhiwen A1 - Puppe, Frank A1 - Reinsch, Stefan A1 - Schottner, Gerhard A1 - Stier, Simon A1 - Waurischk, Tina A1 - Wondraczek, Lothar A1 - Sierka, Marek T1 - Ontology‐Based Digital Infrastructure for Data‐Driven Glass Development N2 - The development of new glasses is often hampered by inefficient trial‐and‐error approaches. The traditional glass manufacturing process is not only time‐consuming, but also difficult to reproduce with inevitable variations in process parameters. These challenges are addressed by implementing an ontology‐based digital infrastructure coupled with a robotic melting system. This system facilitates high‐throughput glass synthesis and ensures the collection of consistent process data. In addition, the digital infrastructure includes machine learning models for predicting glass properties and a tool for extracting patent information. Current glass databases have significant gaps in the relationships between compositions, process parameters, and properties due to inconsistent studies and nonconforming units. In addition, process parameters are often omitted, and even original literature references provide limited information. By continuously expanding the database with consistent, high‐quality data, it is aimed to fill these gaps and accelerate the glass development process. KW - Digitalisation KW - Data-driven glass development KW - Ontology PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-625844 DO - https://doi.org/10.1002/adem.202401560 SN - 1527-2648 SP - 1 EP - 12 PB - Wiley VHC-Verlag AN - OPUS4-62584 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Blaeß, Carsten A1 - Müller, Ralf T1 - Fast crack healing in glass-matrix composites with rigid filler percolation frameworks N2 - To ensure the durability of solid oxide fuel cell sealants, the understanding of the microstructural influence on viscous crack healing is essential. To this end, the effect of microstructure with respect to the spatial distribution of filler particles on viscous crack healing was studied with confocal laser scanning microscopy in glass-matrix composites (GMCs) made by mix-milling and sintering of sodalime magnesium silicate glass and Φ ≈ 6 vol% ZrO2 chemically inert rigid filler particles. This way, no change in Φ occurred during the crack healing treatments studied on Vickers indentation-induced radial cracks in polished GMC surfaces. Different microstructures were mimicked using different ZrO2 particle sizes for mix-milling. Unlike coarse ZrO2 particles, similar in size to the glass particle, fine ZrO2 particles, much smaller than the glass particles, form a rigid percolation framework (RPF) of ZrO2 filler particles around the former glass particles or glass particle agglomerates. For this RPF microstructure, crack healing was observed more readily as crack healing retardation phenomena like large-scale crack widening and crack tip rounding were strongly reduced, whereas narrow cracks could still heal locally within the glassy regions. KW - Crack healing KW - Glass matrix composite KW - Rigid percolation frameworks KW - Vickers indentation PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-625921 DO - https://doi.org/10.1111/jace.20386 SN - 0002-7820 SP - 1 EP - 10 PB - Wiley AN - OPUS4-62592 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Zaiser, E. A1 - Fantin, Andrea A1 - Manzoni, Anna Maria A1 - Hesse, René A1 - Többens, D. M. A1 - Hsu, W.-C. A1 - Murakami, H. A1 - Yeh, A.-C. A1 - Pavel, M. J. A1 - Weaver, M. L. A1 - Zhu, H. A1 - Wu, Y. A1 - Vogel, F. T1 - Elucidating hierarchical microstructures in high entropy superalloys: An integrated multiscale study N2 - In this study, we examine a high entropy superalloy (HESA-Y1: Ni49.37Co20Cr7Fe4Al11.6Ti6Re1Mo0.5W0.5Hf0.03 at%), focusing on hierarchical microstructure formation and its effects on mechanical properties. Thermodynamic modeling using Thermo-Calc predicts equilibrium phase fractions, compositions, and transition temperatures,which are validated by experimental data from differential scanning calorimetry (DSC). Transmission electronmicroscopy (TEM) reveals that secondary aging induces nanometer-sized γ particles within γ’ precipitates, forming a hierarchical γ/γ’ microstructure. Atom probe tomography (APT) confirms supersaturation of γ’ precipitates with γ-forming elements (Co, Cr, Fe), driving γ particle formation, and measures interfacial widths between γ’ and γ phases. Partitioning coefficients derived from APT align with Thermo-Calc predictions for most elements. Vickers microhardness testing shows an increase of about 50 HV in the hierarchical microstructure compared to the conventional one. In situ synchrotron X-ray diffraction (XRD) from 25 to 750 ◦C determines a small, negative lattice misfit δ between γ and γ’ phases, suggesting enhanced microstructural stability, consistent with Thermo-Calc calculations. Our methodological approach enables measurement of the unconstrained lattice parameter of phase-extracted γ’ in a single-crystal XRD setup. Due to their small size and low volume fraction, γ particles do not produce distinct reflections in the X-ray diffractogram. Elucidating hierarchical microstructures across multiple scales, we establish that the presence of Re and Hf and controlled aging processes lead to enhanced mechanical properties, offering valuable insights for the design of advanced high entropy superalloys. KW - High entropy alloys KW - Transmission electron microscopy KW - X-ray diffraction KW - Superalloy PY - 2025 DO - https://doi.org/10.1016/j.matchar.2024.114642 VL - 220 SP - 1 EP - 13 PB - Elsevier Inc. AN - OPUS4-62348 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Manzoni, Anna Maria A1 - Mohring, Wencke A1 - Schneider, Mike A1 - Laplanche, Guillaume A1 - Hagen, Sebastian Peter A1 - Stephan‐Scherb, Christiane T1 - High‐Temperature Oxidation of the CrFeNi Medium‐Entropy Alloy N2 - The isothermal high‐temperature oxidation behavior of the equiatomic CrFeNi medium‐entropy alloy is a key issue that determines whether this material is suited for high‐temperature application. In this view, the understanding of the long‐term behavior is even more crucial than short‐term corrosion effects. Herein, a single‐phase CrFeNi alloy of the face‐centered‐cubic structure is exposed to synthetic air at 1000, 1050, and 1100 °C for 24, 100, and 1000 h and its oxidation behavior is systematically compared to that of 316L steel, which shows a surprising initial oxidation stabilization during early stages. The oxidation rate of CrFeNi is parabolic at 1000 °C (with a parabolic constant kp = 1.4·10−5 mg−2 cm−4 s−1) and 1050 °C (kp = 2.7·10−5 mg−2 cm−4 s−1), but breakaway oxidation occurs at 1100 °C after 4 h of exposure. In all cases, the oxide scales are found to (at least) partially spall off. Chromium diffuses outward to form a Cr2O3 layer at the gas/oxide interface, and a thin layer of (Cr, Fe, Ni)3O4 is identified at the oxide/alloy interface. Unlike the 316L alloy, which contains more Mn and Fe, the CrFeNi alloy does not show any catastrophic oxidation behavior at the investigated conditions. KW - Corrosion KW - Medium-entropy alloy KW - Scanning electron microscopy PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-636672 DO - https://doi.org/10.1002/adem.202500400 SN - 1438-1656 SP - 1 EP - 14 PB - Wiley VHC-Verlag AN - OPUS4-63667 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Serrano-Munoz, Itziar A1 - Agudo Jácome, Leonardo A1 - Thompsom, Sean A1 - Schneider, Judy T1 - On the transferability of post-processing heat treatments designed for PBF-LB IN718 alloys to directed energy deposition specimens N2 - Many processes are being developed for metal additive manufacturing (AM) which vary by their heat source and feedstock. The use of directed energy deposition (DED) is growing due to its ability to build larger structures outside of a contained powder bed chamber. However, the only standard exclusively for post-build heat treatment of AM IN718 is ASTM standard F3055-14a, developed for powder bed fusion (PBF). This study evaluates the applicability of this current heat treatment standard to AM IN718 specimens produced using two methods of DED: laser-blown powder (LP)-DED and arc-wire (AW)-DED. Electron microscopy and X-ray diffraction techniques were used to characterize the specimens in the as-built condition and after the full heat treatment (FHT) specified in F3055. No evidence of remaining Laves phase was observed in the two DED specimens after the FHT. Yield strengths for the DED specimens were 1049 MPa for FHT AW-DED and 1096 MPa for LP-DED, higher than the minimum stated for PBF-LB IN718 of 920 MPa. The size, morphology, inter-spacing, and diffraction patterns of the γ´ and γ´´ strengthening precipitates are found to be similar for both DED processes. Differences were observed in the microstructure evolution where the F3055 heat treatments resulted in partial recrystallization of the grain structure, with a higher content of annealing twins observed in the AW-DED. These microstructural differences correlate with differences in the resulting elongation to failure. Thus, it is proposed that variations in heat treatments are needed for optimizing IN718 produced by different AM processes. KW - Additive manufacturing variants KW - Directed energy deposition (DED) KW - Post-process heat treatments KW - SEM-EBSD and TEM microscopy KW - XRD phase analysis PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-628165 DO - https://doi.org/10.1007/s00170-025-15386-1 SN - 1433-3015 VL - 137 IS - 7-8 SP - 3949 EP - 3965 PB - Springer Science and Business Media LLC AN - OPUS4-62816 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Weinel, Kristina A1 - Hahn, Marc Benjamin A1 - Lubk, Axel A1 - González Martínez, Ignacio Guillermo A1 - Büchner, Bernd A1 - Agudo Jácome, Leonardo T1 - Nanoparticle Synthesis by Precursor Irradiation with Low-Energy Electrons N2 - Nanoparticles (NPs) and their fabrication routes are intensely studied for their wide range of application in optics, chemistry, and medicine. Γ-ray and ion irradiation of precursor matter are established methods that facilitate tailored NP synthesis without complicated chemistry. Here, we develop and explore NP synthesis based on irradiating precursor microparticles with low-energy electron beams. We specifically demonstrate the fabrication of plasmonic gold nanoparticles of sizes between 3 and 350 nm on an amorphous SiOx substrate using a 30 kV electron beam. By detailed comparison with electron scattering simulations and thermodynamic modeling, we reveal the dominant role of inelastic electron–matter interaction and subsequent localized heating for the observed vaporization of the precursor gold microparticles. This general principle suggests the suitability of electron-beam irradiation for synthesizing NPs of a wide class of materials. KW - Gold Nanoparticle KW - Scanning Electron Microscopy KW - In situ irradiation KW - Thermodynamic modelling KW - Heat Transfer PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-627609 DO - https://doi.org/10.1021/acsanm.4c06033 SN - 2574-0970 VL - 8 IS - 10 SP - 4980 EP - 4988 PB - ACS Publications CY - Washington, DC AN - OPUS4-62760 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Feng, Wen A1 - Schulz, Johannes A1 - Wolf, Daniel A1 - Pylypenko, Sergii A1 - Gemming, Thomas A1 - Weinel, Kristina A1 - Agudo Jácome, Leonardo A1 - Büchner, Bernd A1 - Lubk, Axel T1 - Secondary electron emission from gold microparticles in a transmission electron microscope: comparison of Monte Carlo simulations with experimental results N2 - We measure the electron beam-induced current to analyze the electron-induced secondary electron (SE) emission from micron-sized gold particles illuminated by 80 and 300 keV electrons in a transmission electron microscope. A direct comparison of the experimental and simulated SE emission (SEE) employing Monte Carlo scattering simulations based on the GEANT4 toolkit yields overall good agreement with a noticeable discrepancy arising from the shortcoming of the GEANT4 scattering cross sections in the low-loss regime. Thus, the electron beam-induced current analysis allows to quantify the inelastic scattering including SEE in the transmission electron microscope and provides further insight into the charging mechanisms. KW - Electron beam-induced current KW - Transmission electron microscopy KW - Secondary electron emission KW - Secondary electron yield KW - Gold micronoparticle PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-622557 DO - https://doi.org/10.1088/1361-6463/ad9840 VL - 58 IS - 8 SP - 1 EP - 7 PB - IOP Publishing CY - Bristol, GB AN - OPUS4-62255 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Paulisch-Rinke, M. C. A1 - Manzoni, Anna Maria A1 - Agudo Jácome, Leonardo A1 - Vogel, F. A1 - Reimers, W. T1 - Influence of chemical composition on microstructure and mechanical properties in the extruded aluminum alloys 7021B and 7175 N2 - The aim of this study is to improve the mechanical properties of Al 7xxx series alloys by achieving the strengthening benefits typically provided by Cu while avoiding the formation of low-melting eutectic phases associated with excessive Cu content. This is accomplished through a tailored combination of alloying elements and optimized thermomechanical treatments. Alloys 7021B (high Zn content) and 7175 (high Cu and Mg content) are analyzed and optimized threefold in this study: the heat treatment, the microstructural evolution and the mechanical properties are investigated by several methods and compared with the aim of improving the process parameters for subsequent application. The peak-aging process is optimized via compression tests to overcome the strength-ductility trade-off. Microstructure and phase chemistry analyses by transmission electron microscopy and atom probe tomography enable a better understanding of the underlying morphological features such as the spatial distribution, and the chemical composition of the hardening phases. The mechanical properties of the peak-aged alloys are determined by compression and tensile tests. Both alloys exhibit very high strength – even by 7xxx series standards. It can be traced back to the dislocation movement: it is impeded both by homogeneously distributed cuttable Guinier–Preston zones in both alloys and by non-cuttable η’ precipitates. As a result, we demonstrate that alloy 7021B offers novel possibilities for processing and industrial application: high strength, typically associated with Cu containing alloys, can also be obtained in Cu free alloys, if the Zn content is sufficiently high. We can thus suggest new opportunities for processing and industrial applications by reducing the risk of forming low-melting eutectic phases. KW - Aluminium alloys KW - Transmission electron microscopy KW - Atom probe tomography KW - Extrusion KW - Mechanical properties PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-640338 DO - https://doi.org/10.1016/j.matdes.2025.114649 SN - 0264-1275 VL - 258 SP - 1 EP - 11 PB - Elsevier Ltd. AN - OPUS4-64033 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Müller-Elmau, Johanna A1 - Göbel, Artur A1 - Junge, Paul A1 - Müller, Julian A1 - Rousseau, Tom A1 - Görke, Oliver A1 - Nikasch, Christian A1 - Kiliani, Stefan T1 - Thermal cycling of YAG infiltration and plasma sprayed coatings as environmental barrier coating on ceramic heat shields for use in hydrogen operating gas turbines N2 - Environmental barrier coatings (EBC) are intended to protect alumina ceramic tiles in hot water vapor conditions, enabling gas turbines to operate with higher hydrogen content or even pure hydrogen. For these operating conditions, yttrium aluminum garnet (YAG) promises the highest protection against hydrolysis, which can be applied via atmospheric plasmaspraying (APS). To enhance the protection efficiency, the coating is combined with a prior infiltration of the base material. The obtained design acts as in-depth protection even if the coating exhibits cracks. KW - Thermal shock KW - Thermal cycles KW - Environmental barrier coating (EBC) KW - Water vapor corrosion PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-639829 DO - https://doi.org/10.1016/j.oceram.2025.100837 VL - 23 SP - 1 EP - 7 PB - Elsevier Ltd. AN - OPUS4-63982 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Epishin, A. I. A1 - Nolze, Gert A1 - Malakhov, A. Yu. A1 - Pervukhina, O. L. T1 - Investigation of the Structure of Interfaces Between Metals and Alloys Joined by Explosion Welding N2 - The structure of interfaces in Fe20Cr6Al/Cu, titanium/steel and brass/Invar bimetals obtained by explosion welding from sheet components with a thickness of 1 and 4, 25 and 5, 12 and 8 mm, respectively, was studied using analytical methods of scanning electron microscopy. The wave dimensions (length/height) were approximately 200/50 μm for Fe20Cr6Al/Cu, 700/70 μm for titanium/steel and 350/100 μm for brass/Invar. At the micron scale, mutual penetration of the welded components into each other (trans-interface diffusion) was not detected. In the iron-based plate of Fe20Cr6Al/Cu bimetal, a strong texture and cracks, which are a critical defect, were formed as a result of severe plastic deformation. Less pronounced textures were revealed in the components of titanium/steel bimetal. In titanium/steel bimetal, Laves phase particles Fe2Ti were found near the welded interface, while in brass/Invar bimetal, local contact melting was observed. However, the particles Fe2Ti and local melting areas are not critical defects, as they do not cause unacceptable deterioration in the adhesive strength of the welded joints, which was confirmed by a high shear strength of 500-570 MPa for the brass/Invar bimetal. KW - EBSD KW - Welding KW - Interface PY - 2025 DO - https://doi.org/10.1007/s11665-025-12660-x SN - 1059-9495 SP - 1 EP - 11 PB - Springer Science and Business Media LLC AN - OPUS4-64732 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Fayis Kalady, Mohammed A1 - Schultz, Johannes A1 - Weinel, Kristina A1 - Wolf, Daniel A1 - Lubk, Axel T1 - Geometry-dependent localization of surface plasmons on random gold nanoparticle assemblies N2 - Assemblies of plasmonic nanoparticles (NPs) support hybridized modes of localized surface plasmons (LSPs), which delocalize in geometrically well-ordered arrangements. Here, the hybridization behavior of LSPs in geometrically completely disordered two-dimensional arrangements of Au NPs fabricated by an e-beam synthesis method is studied. Employing electron energy loss spectroscopy in a scanning transmission electron microscope and numerical simulations, the disorder-driven spatial and spectral localization of the coupled LSP modes that depends on the NP thickness is revealed. Below a NP thickness of 0.4 nm, localization increases toward higher hybridized LSP mode energies. In comparison, above 10 nm thickness, a decrease of localization toward higher mode energies is observed. In the intermediate thickness regime, a transition of the energy dependence of the localization between the two limiting cases, exhibiting a mode energy with minimal localization, is observed. It is shown that this behavior is mainly driven by the energy and thickness dependence of the polarizability of the individual NPs. KW - Gold Nanoparticles KW - Surface plasmons KW - Electron enerdy loss spectroscopy (EELS) KW - scanning transmission electron microscopy PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-647230 DO - https://doi.org/10.1103/44nk-6bp2 SN - 2643-1564 VL - 7 IS - 043053 EP - 4 PB - American Physical Society AN - OPUS4-64723 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Xu, Alan A1 - Moschetti, Michael A1 - Miskovic, David A1 - Wei, Tao A1 - Ionescu, Mihail A1 - Wang, Zhiyang A1 - Palmer, Tim A1 - Bhattacharyya, Dhriti A1 - He, Peidong A1 - Li, Xiaopeng A1 - Gludovatz, Bernd A1 - Ferry, Michael T1 - Improved irradiation resistance of a low activation refractory medium entropy alloy, VCrFeW0.2, for fusion applications demonstrated by micro-tensile testing N2 - An, as cast, VCrFeW0.2 refractory medium entropy alloy (RMEA) was designed for fusion reactor divertor applications, focusing on reduced cost, low activation and compositional stability (low transmutation rates). The as-cast alloy was irradiated to a fluence of 5.6 × 10^17 ions/cm^2 at room temperature with 5 MeV helium ions whose energy have been uniformly attenuated to 0.4 MeV and 5 MeV via energy degradation device prior to sample irradiation. Pre and post irradiation, its mechanical properties were evaluated micro-tensile testing. Prior to irradiation, the VCrFeW0.2 alloy demonstrated good strength and ductility, with a yield strength of 1464 MPa and strain to UTS (\sigma_UTS) of 4.6 %, maintaining comparable strength to pure tungsten (1403 MPa) but with greater strain to UTS (1.3 %). Post irradiation, the VCrFeW0.2 alloy exhibited remarkable damage resistance; its strength increased by only ∼160 MPa, and it retained strain to UTS with a \sigma_UTS of 2.9 %. It performed better than pure tungsten tested under identical irradiation conditions where there was ∼1800 MPa increase in yield strength and a complete loss of plasticity. The micro-tensile results were supported by nanoindentation tests and Vickers hardness testing was also undertaken to show the yield strength values are representative of macro scale, bulk behavior. TEM and comparison with existing literature on RMEA/RHEA are presented here to understand the reason for difference in performance between VCrFeW0.2 alloy and pure tungsten. KW - Refractory medium entropy alloys KW - Fusion reactor materials KW - Irradiation resistance KW - Micro-tensile testing KW - Helium ion damage PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-645322 DO - https://doi.org/10.1016/j.ijrmhm.2025.107481 SN - 0263-4368 VL - 134 SP - 1 EP - 16 PB - Elsevier Ltd. CY - Netherlands AN - OPUS4-64532 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Ginés-Palomares, Juan-Carlos A1 - Facchini, Leonardo A1 - Wilbig, Janka A1 - Zocca, Andrea A1 - Stoll, Enrico A1 - Günster, Jens T1 - Melt Pool Stability during Local Laser Melting of Lunar Regolith with Large Laser Spots and Varying Gravity N2 - In order to increase the sustainability of future lunar missions, techniques for in-situ resource utilization (ISRU) must be developed. In this context, the local melting of lunar dust (regolith) by laser radiation for the production of parts and larger structures was investigated in detail. With different experimental setups in normal and microgravity, laser spots with diameters from 5 mm to 100 mm were realized to melt the regolith simulant EAC-1A and an 80%/20% mixture of TUBS-T and TUBS-M, which are used as a substitute for the actual lunar soil. In the experiments performed, the critical parameters are the size of the laser spot, the velocity of the laser spot on the surface of the powder bed, the gravity and the wettability of the powder bed by the melt. The stability of the melt pool as a function of these parameters was investigated and it was found that the formation of a stable melt pool is determined by gravity for large melt pool sizes in the range of 50 mm and by surface tension for small melt pool sizes in the range of a few mm. KW - Additive Manufacturing KW - Regolith KW - Laser melting KW - ISRU PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-639621 DO - https://doi.org/10.1016/j.amf.2025.200227 SN - 2950-4317 VL - 4 IS - 3 SP - 1 EP - 10 PB - Elsevier Ltd. AN - OPUS4-63962 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Moschetti, Michael A1 - Lemiasheuski, Anton A1 - Bajer, Evgenia A1 - Porohovoj, Ilja A1 - Göbel, Artur A1 - Pfennig, Anja A1 - Bettge, Dirk A1 - Maaß, Robert T1 - Robot-Assisted Automated Serial-Sectioning and Imaging for 3D Microstructural Investigations N2 - Comprehensive materials characterization requires precise structural knowledge beyond traditional methods. The robot-assisted automated serial-sectioning and imaging (RASI) platform, developed at BAM, provides automated 3D metallographic reconstructions, enabling detailed microstructural analysis of technical materials. This article showcases RASI’s capabilities through several case studies, including characterization of lamellar graphite in gray cast iron, porosity in sintered steel, melt pool morphology in additively manufactured 316L stainless steel, defects in metal-ceramic packages, and oxidation behavior in an Fe-12Cr-2Co alloy. By automating sample handling, mechanical serial-sectioning, etching, and optical imaging, RASI captures complex 3D microstructures with high precision and at high speed. This approach reveals microstructural features missed by 2D analysis, even using stereological assumptions. Specifically, statistically rare and large microstructural features, such as secondary phases or interconnected pores, become apparent, which 2D methods cannot reveal. The generated volumetric data can furthermore serve as quantitative reference datasets (i.e., the ‘ground truth’) essential for validating other 3D characterization techniques and computational models, helping to bridge the gap between predictive simulations and real-world material behavior. RASI’s modular design makes it a flexible tool that provides realistic 3D insights into materials, which can be used for advanced materials research, process optimization, and quality control. KW - 3D metallography KW - Automated microstructure characterization KW - Image segmentation KW - Mechanical polishing based serial-sectioning KW - Process-microstructure-property relationships KW - Quantitative microstructure PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-649614 DO - https://doi.org/10.1002/adem.202502202 SN - 1527-2648 VL - 28 IS - 2 SP - 1 EP - 14 PB - Wiley-VCH GmbH AN - OPUS4-64961 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Ikeda, Yuki A1 - Wallis, Theophilus A1 - Maaß, Robert A1 - Darvishi Kamachali, Reza T1 - Thermodynamics of grain boundary segregation transition and their relevance for liquid metal embrittlement in Fe-Zn system N2 - Grain boundaries (GBs) are common sites of failure in polycrystalline materials. Recently, a massive Zn segregation transition at Fe GBs was discovered and shown to act as a potent precursor of liquid metal embrittlement (LME) in the Fe-Zn system (Kamachali et al., Scripta Materialia 238 (2024) 115758). In this study, we elaborate on how temperature, GB type and the chemo-structurally coupled phase decomposition at the GB impact this segregation transition. CALPHAD and atomistic simulation data were utilized as inputs to conduct quantitative density-based thermodynamic modeling and phase-field simulations across various GBs, alloy compositions, and temperatures. We reveal that once the segregation transition becomes possible, the GB structural variation stabilizes spinodally formed Zn-rich phases within the GB region, with a higher tendency in disordered GBs. GB phase diagrams were constructed to identify and analyze the range of critical temperatures and alloy compositions associated with the segregation transition. The phase diagrams reveal that the miscibility gap for more disordered GB expands and, although the segregation transition is inevitable and occurs for all GBs, the barrier to triggering it is lower for more disordered GBs. Based on our thermodynamic analyses, potential processing modifications and GB engineering strategies for mitigating segregation-induced LME are thoroughly discussed. KW - Thermodynamics KW - Phase-Field Modelling KW - Steels PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-634145 DO - https://doi.org/10.1016/j.actamat.2025.121134 SN - 1359-6454 VL - 296 SP - 1 EP - 11 PB - Elsevier BV AN - OPUS4-63414 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Chang, Yen-Ting A1 - Sharda, Abhi A1 - Rosalie, Julian M. A1 - Maaß, Robert A1 - Charpagne, Marie A. T1 - A bcc refractory high-entropy alloy: the ideal case of smooth plastic flow N2 - Single crystalline metals exhibit correlated dislocation dynamics, irrespective of lattice system. This collective evolution of dislocation structures is intermittent and scale-free, implying divergent length scales that play a critical role in failure initiation and therefore microstructural design. Here we report on a HfNbTaTiZr refractory high-entropy alloy, that lacks criticality in the collective dislocation response. This unusual behaviour manifests itself in almost quenched-out microplastic stress-strain fluctuations and sluggish dislocation avalanching, otherwise only seen in complex engineering alloys. These findings demonstrate how the high-entropy paradigm can serve as a role model to effectively suppress unwanted plastic fluctuations in metals deformation. KW - Plasticity KW - Dislocations KW - Avalanches KW - Refractory high-entropy alloys PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-630241 DO - https://doi.org/10.1080/21663831.2025.2497860 SN - 2166-3831 SP - 1 EP - 8 PB - Taylor & Francis Group AN - OPUS4-63024 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Bekemeier, Simon A1 - Caldeira Rêgo, C. R. A1 - Mai, H. L. A1 - Sikia, Ujjal A1 - Waseda, O. A1 - Apel, M. A1 - Arendt, F. A1 - Aschemann, A. A1 - Bayerlein, Bernd A1 - Courant, R. A1 - Dziwis, G. A1 - Fuchs, F. A1 - Giese, U. A1 - Junghanns, K. A1 - Kamal, M. A1 - Koschmieder, L. A1 - Leineweber, S. A1 - Luger, M. A1 - Lukas, M. A1 - Maas, J. A1 - Mertens, J. A1 - Mieller, Björn A1 - Overmeyer, L. A1 - Pirch, N. A1 - Reimann, J. A1 - Schröck, S. A1 - Schulze, P. A1 - Schuster, J. A1 - Seidel, A. A1 - Shchyglo, O. A1 - Sierka, M. A1 - Silze, F. A1 - Stier, S. A1 - Tegeler, M. A1 - Unger, Jörg F. A1 - Weber, M. A1 - Hickel, Tilmann A1 - Schaarschmidt, J. T1 - Advancing Digital Transformation in Material Science: The Role of Workflows Within the MaterialDigital Initiative N2 - The MaterialDigital initiative represents a major driver toward the digitalization of material science. Next to providing a prototypical infrastructure required for building a shared data space and working on semantic interoperability of data, a core focus area of the Platform MaterialDigital (PMD) is the utilization of workflows to encapsulate data processing and simulation steps in accordance with findable, accessible, interoperable, and reusable principles. In collaboration with the funded projects of the initiative, the workflow working group strives to establish shared standards, enhancing the interoperability and reusability of scientific data processing steps. Central to this effort is the Workflow Store, a pivotal tool for disseminating workflows with the community, facilitating the exchange and replication of scientific methodologies. This article discusses the inherent challenges of adapting workflow concepts, providing the perspective on developing and using workflows in the respective domain of the various funded projects. Additionally, it introduces the Workflow Store’s role within the initiative and outlines a future roadmap for the PMD workflow group, aiming to further refine and expand the role of scientific workflows as a means to advance digital transformation and foster collaborative research within material science. KW - Digitalisation KW - FAIR principles KW - MaterialDigital KW - Scientific workflows KW - Semantic interoperability PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-624088 DO - https://doi.org/10.1002/adem.202402149 SN - 1527-2648 IS - 2402149 SP - 1 EP - 25 PB - Wiley-VCH GmbH AN - OPUS4-62408 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Chen, Yu A1 - Bo, Zhen-Xing A1 - Zhou, Hong Bo A1 - Sun, Bao-An A1 - Sun, Yong Hao A1 - Maaß, Robert A1 - Wang, Wei Hua T1 - Nanoindentation reveals universal scaling of pop-in plasticity in metallic glasses N2 - Plastic flow of metallic glasses proceeds intermittently in the inhomogeneous deformation regime. Mediated via shear bands, quasi-static straining gives rise to plastic instabilities that are measured as abrupt displacement bursts or pop-ins. The latter is a well-known feature in nanoindentation, where its first occurrence probes the critical and site-specific stress of nano-scale incipient shear deformation. Here we show that the statistical distribution of the stress and magnitude of the first shear instability, as well as its successive higher-order events, universally follow Weibull statistics across ten different metallic glasses. This indicates a fundamentally identical plastic process across glass-forming alloys and progressing deformation that is governed by a weakest-link phenomenon. This finding stands in strong contrast to crystalline alloys, where both defect nucleation and defect-structure evolution control shear instabilities and depend on the deformation history. KW - Metallic glasses KW - Nanoindentation KW - Intermittent flow KW - Pop-ins KW - Weibull distribution PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-624772 DO - https://doi.org/10.1016/j.scriptamat.2025.116549 VL - 259 SP - 1 EP - 5 PB - Elsevier Inc. AN - OPUS4-62477 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Rashidi, Reza A1 - Riechers, Birte A1 - Rosalie, Julian A1 - Maaß, Robert T1 - Annealing-dependent elastic microstructure in a Zr-based metallic glass N2 - In this letter, we demonstrate the robust presence of an elastic microstructure in a Zr-based metallic glass (MG) with a characteristic length-scale of the order of 100 nm. This length scale increases systematically towards the MG surface in differently sized casts, whereas thermal relaxation homogenizes both the internal length-scale gradient and the magnitude of the elastic fluctuations. Strongest changes during relaxation arise in the stiffest parts of the elastic microstructure. These findings indicate that the elastic microstructure emerges due to cooling constraints and may therefore be a microstructural manifestation of the internal residual stresses that arise during MG-solidification. KW - Metallic glass KW - Heterogeneity KW - Elastic microstructure KW - Nanoindentation PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-610962 DO - https://doi.org/10.1016/j.scriptamat.2024.116380 VL - 255 SP - 1 EP - 5 PB - Elsevier B.V. CY - Amsterdam, Niederlande AN - OPUS4-61096 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Hoffmann, M. A1 - Schubert, Nils A1 - Günster, Jens A1 - Stawarczyk, B. A1 - Zocca, Andrea T1 - Additive manufacturing of glass-ceramic dental restorations by layerwise slurry deposition (LSD-print) N2 - This study is dedicated to the additive manufacturing of a feldspar glass-ceramic for dental applications by LSD-print (layerwise slurry deposition) technology, a variation of binder jetting using water-based ceramic slurries as feedstock. This technology was investigated for the manufacturing of single tooth restoration demonstrators with good aesthetic properties, and to compare the additively manufactured material with a commercial reference. Model restorations with > 99 % relative density were processed with a debinding and firing cycle of 45 min, however the whole process chain accounts for up to 30 hours. Significant differences between LSD-printed and reference materials were found for fracture strength, fracture toughness and Martens parameters. Printing orientation affected shrinkage and fracture strength, but not fracture toughness and Martens parameters. Nevertheless, the results suggest that the LSD-print technology processing the developed slurry is a promising option for manufacturing dental restorations meeting class 1a requirements according to DIN EN ISO 6871:2019–01. KW - Additive Manufacturing KW - 3D-printing KW - LSD-print KW - Dental ceramics KW - Glass-ceramic KW - Debinding KW - Firing KW - Sinter-crystallization PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-624768 DO - https://doi.org/10.1016/j.jeurceramsoc.2025.117235 VL - 45 IS - 7 SP - 1 EP - 13 PB - Elsevier Ltd. AN - OPUS4-62476 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Ginés-Palomares, Juan-Carlos A1 - Baasch, Julian A1 - Stapperfend, Simon A1 - Facchini, Leonardo A1 - Linke, Stefan A1 - Stoll, Enrico A1 - Günster, Jens T1 - Laser Melting vs. Laser Sintering: Large Area Heat Processing of Lunar South Pole Simulant N2 - A key component of future lunar missions is the concept of In-Situ Resource Utilization (ISRU), which involves the use of local resources to support human missions and reduce dependence on Earth-based supplies. This paper investigates the thermal processing capability of lunar regolith without the addition of binders, with a focus on large-scale applications for the construction of lunar habitats and infrastructure. The study used a simulant of lunar regolith found on the Schrödinger Basin in the South Pole region. This regolith simulant consists of 20 wt% basalt and 80 wt% anorthosite. Experiments were conducted using a high power CO2 laser to sinter and melt the regolith in a 80 mm diameter laser spot to evaluate the effectiveness of direct large area thermal processing. Results indicated that sintering begins at approximately 1,180 °C and reaches full melt at temperatures above 1,360 °C. Sintering experiments with this material revealed the formation of dense samples up to 11 mm thick, while melting experiments successfully produced larger samples by overlapping molten layers and additive manufacturing up to 50 mm thick. The energy efficiency of the sintering and melting processes was compared. The melting process was about 10 times more energy efficient than sintering in terms of material consolidation, demonstrating the promising potential of laser melting technologies of anorthosite-rich regolith for the production of structural elements. KW - Additive Manufacturing KW - Laser melting KW - ISRU KW - Moon KW - Regolith PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-639614 DO - https://doi.org/10.1016/j.amf.2025.200226 SN - 2950-4317 VL - 4 IS - 3 SP - 1 EP - 13 PB - Elsevier Ltd. AN - OPUS4-63961 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Ávila Calderón, Luis A1 - Shakeel, Y. A1 - Gedsun, A. A1 - Forti, M. A1 - Hunke, S. A1 - Han, Ying A1 - Hammerschmidt, T. A1 - Aversa, R. A1 - Olbricht, Jürgen A1 - Chmielowski, M. A1 - Stotzka, R. A1 - Bitzek, E. A1 - Hickel, Tilmann A1 - Skrotzki, Birgit T1 - Management of reference data in materials science and engineering exemplified for creep data of a single-crystalline Ni-based superalloy N2 - The identification of process-structure-property relationships of materials inevitably requires the combination of research data from different measurements. Therefore, the concepts related to FAIR (findable, accessible, interoperable, reusable) data handling, increasingly reported in literature, are particularly important in the materials science and engineering domain. However, they have not yet been integrated into a single, overarching methodological framework, particularly for reference data. Here, we introduce such a framework. Our concept covers data generation, documentation, handling, storage, sharing, data search and discovery, retrieval, and usage. Furthermore, we prototypically implement it using a real dataset with creep data of a single-crystal CMSX-6 Ni-based superalloy. The presented implementation is traceable and permanently accessible through open repositories. The individual elements considered in the framework ensure the functionality and usability of the data and, thus, the adherence to the FAIR principles. In conjunction with this, we present a definition for reference data of materials. Our definition underlines particularly the importance of a comprehensive documentation, e.g., on material provenance, data processing procedures, and the software and hardware used, including software-specific input parameters, as these details enable data users or independent parties to assess the quality of the datasets and to reuse and reproduce the results. Reference data that is managed according to the proposed framework can be used to advance knowledge in the materials science and engineering domain, e.g., by identifying new process-structure-property relations. KW - Referenzdaten KW - NFDI-MatWerk KW - Data schema KW - Research Data Management KW - Reference Data PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-625047 DO - https://doi.org/10.1016/j.actamat.2025.120735 VL - 286 SP - 1 EP - 15 PB - Elsevier Inc. AN - OPUS4-62504 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Zaiser, Erika A1 - Fareed, Adnan A1 - Manzoni, Anna Maria A1 - Paulisch-Rinke, Melanie C. A1 - Hsu, Wei-Che A1 - Yeh, An-Chou A1 - Murakami, Hideyuki A1 - Vogel, Florian A1 - Maaß, Robert T1 - Pinning-dominated strengthening in high-entropy superalloys N2 - Hierarchical microstructural design of high-entropy superalloys offers novel strengthening pathways beyond classical superalloys. Here we assess the strength of isolated γ’ precipitates with and without an additional internal γ nanophase. The results show that nano-precipitation within the γ’ phase leads to a marked statistical reduction of the dislocation-nucleation limited yield strength. In concert with disorder-driven chemical weakening of the γ’ phase, these findings indicate that bulk strengthening due to hierarchical microstructural design in high entropy superalloys must primarily be pinning dominated. KW - High-entropy alloys KW - Superalloys KW - Dislocation nucleation KW - Plasticity PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-637590 DO - https://doi.org/10.1016/j.scriptamat.2025.116874 SN - 1359-6462 VL - 268 SP - 1 EP - 6 PB - Elsevier Inc. AN - OPUS4-63759 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Ikeda, Yuki A1 - Han, Seungchang A1 - Wallis, Theophilus A1 - Darvishi Kamachali, Reza A1 - Maaß, Robert T1 - On the preference of liquid-metal embrittlement along high-angle grain-boundaries in galvanized steels N2 - Focusing on the early stages of liquid-metal embrittlement (LME) of Zinc (Zn) coated advanced high-strength steels, we show that the Zn infiltration path prior to grain-boundary decohesion and therefore cracking distinctly follows high-angle grain boundaries (HAGBs). This selective transport prior to LME-induced microcracking rationalizes the experimentally observed post-mortem cracking along martensitic HAGBs. We discuss the selective Zn transport and GB-weakening in terms of an misorientation-angle dependent atomic density and diffusivity, and its effect on GB-segregation. KW - Liquid-metal embrittlement KW - Advanced high-strength steels KW - Grain boundaries PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-631103 DO - https://doi.org/10.1016/j.scriptamat.2025.116723 SN - 1359-6462 VL - 265 SP - 1 EP - 5 PB - Elsevier Inc. AN - OPUS4-63110 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Geffroy, P.-M. A1 - Schubert, Nils Hendrik A1 - Günster, Jens A1 - Zocca, Andrea T1 - Quantification of in-plane stress development during drying of tape-cast ceramic layers by cantilever deflection method N2 - The control of stress development in cast ceramics during drying is usually one of critical steps in ceramic processes, which is important also for additive manufacturing technologies using a suspension as feedstock. This work introduces a method based on the cantilever deflection method, to simultaneously quantify the kinetics of solvent evaporation, the shrinkage and the intensity of in-plane stresses developed during drying. Particular attention is given here to the experimental limits of the method and to the optimization of the experimental conditions to suitably measure the intensity of in-planar stress in the coating. The optimized method is applied to four alumina slurries for the water-based additive manufacturing technology LSD-print. Four stages of drying are identified and discussed in relation with the granulometry and morphology of the alumina ceramic particles. KW - Additive Manufacturing KW - Tape casting KW - Ceramic layers KW - Drying stress PY - 2025 DO - https://doi.org/10.1016/j.jeurceramsoc.2024.116868 VL - 45 IS - 1 SP - 1 EP - 10 PB - Elsevier B.V. AN - OPUS4-61044 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Falkenberg, Rainer A1 - Kamachali, Reza Darvishi T1 - Segregation-induced hydrogen embrittlement in titanium N2 - Although titanium offers an optimal combination of strength, low weight, and toughness for various applications, it suffers from a drawback: loss of ductility upon exposure to hydrogen. In this work, we couple CALPHAD-integrated density-based thermodynamic modelling of hydrogen segregation with an experimentally calibrated fracture model to investigate its on crack propagation in titanium. Here we propose to model the crack propagation path as a quasi-interface with slightly opened structure and reduced atomic density, enabling interstitial hydrogen segregation. The atomic density is then directly linked with the damage parameter. We found that hydrogen segregation in titanium undergoes a significant transition such that above a threshold of only few atomic percent hydrogen in the solid solution, the interfacial hydrogen concentration exceeds 20 at.%. Integrating this information into our fracture model, the material damage evolution could be explained by a segregation-affected Griffith crack energy, resulting in material decohesion. We found that the segregation transition and subsequent embrittlement effects are critically sensitive to the temperature in the system. The present results suggest a mechanism underlying the sudden loss of fracture toughness during crack propagation, in relation to the ductile-to-brittle transition observed in titanium alloys exposed to hydrogen. The proposed CALPHAD-integrated chemo-mechanical framework can be further generalised for studying more complex failure mechanisms in various materials. KW - Segregation transition KW - Hydrogen embrittlement KW - Titanium alloys KW - Crack propagation KW - Ductile-to-brittle transition PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-655451 DO - https://doi.org/10.1016/j.mtla.2025.102411 SN - 2589-1529 VL - 41 SP - 1 EP - 12 PB - Elsevier Inc. AN - OPUS4-65545 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -