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 -