TY - JOUR A1 - Riechers, Birte A1 - Das, Amlan A1 - Rashidi, Reza A1 - Dufresne, Eric A1 - Maaß, Robert T1 - Metallic glasses: Elastically stiff yet flowing at any stress N2 - Crystalline solids have a minimum stress needed to displace atoms or to move defects. This stress defines the true elastic limit and is generally a sizeable share of the macroscopic yield stress. Here we demonstrate that a metallic glass, an amorphous solid with a yield stress in the giga-pascal regime, lacks such a true microscopic elastic limit. Leveraging in-situ coherent x-ray scattering, we uncover a strongly accelerated atomic-scale transport upon the application of a stress as small as 0.005 times the yield stress. With increasing stress levels, the distribution of structural relaxation times changes from compressed exponential to simple exponential form, revealing a stress–temperature equivalence in the time-scale domain. These findings strongly promote a microstructurally heterogeneous picture of metallic glasses, in which a part of the amorphous microstructure controls macroscopic yielding whereas another part admits microplastic flow at any stress. KW - Metallic glasses KW - Microstructure PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-624530 DO - https://doi.org/10.1016/j.mattod.2024.11.015 VL - 82 SP - 92 EP - 98 PB - Elsevier B.V. AN - OPUS4-62453 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Fareed, Adnan A1 - Rosalie, Julian A1 - Kar, Satyakam A1 - Fähler, Sebastian A1 - Maaß, Robert T1 - Small-scale functional fatigue of a Ni-Mn-Ga Heusler alloy N2 - Functional fatigue of shape-memory alloys is a considerable threat to the reliable service of actuation devices. Here, we demonstrate the essentially degradation-free cyclic phase-transformation behavior of Ni-Mn-Ga microcrystals up to one million stress-driven superelastic cycles. Cyclic dissipation amounts to about 1/5 of the bulk counterpart and remains unaffected during cycling, even after the introduction of dislocation structures via plastic straining. Plastic yielding and the transformation stress largely exceed the known bulk values. However, the transformation-stress is found to depend on plastic pre-straining, which suggests that the size-affected transformation stress is sensitive to the initial defect structure and that it can be tuned by a targeted introduction of dislocations. These findings demonstrate the high suitability of Ni-Mn-Ga as a robust shape-memory alloy in small-scale functional device engineering. KW - Superelasticity KW - Shape-memory alloys KW - Functional fatigue KW - Ni-Mn-Ga PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-600695 DO - https://doi.org/10.1016/j.actamat.2024.119988 VL - 274 SP - 1 EP - 10 PB - Elsevier B.V. AN - OPUS4-60069 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Riechers, Birte A1 - Das, Amlan A1 - Dufresne, Eric A1 - Derlet, Peter M. A1 - Maaß, Robert T1 - Intermittent cluster dynamics and temporal fractional diffusion in a bulk metallic glass N2 - Glassy solids evolve towards lower-energy structural states by physical aging. This can be characterized by structural relaxation times, the assessment of which is essential for understanding the glass’ time-dependent property changes. Conducted over short times, a continuous increase of relaxation times with time is seen, suggesting a time-dependent dissipative transport mechanism. By focusing on micro-structural rearrangements at the atomic-scale, we demonstrate the emergence of sub-diffusive anomalous transport and therefore temporal fractional diffusion in a metallic glass, which we track via coherent x-ray scattering conducted over more than 300,000 s. At the longest probed decorrelation times, a transition from classical stretched exponential to a power-law behavior occurs, which in concert with atomistic simulations reveals collective and intermittent atomic motion. Our observations give a physical basis for classical stretched exponential relaxation behavior, uncover a new power-law governed collective transport regime for metallic glasses at long and practically relevant time-scales, and demonstrate a rich and highly non-monotonous aging response in a glassy solid, thereby challenging the common framework of homogeneous aging and atomic scale diffusion. KW - Glassy solids KW - Fractional diffusion KW - Coherent x-ray scattering PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-608015 DO - https://doi.org/10.1038/s41467-024-50758-3 VL - 15 IS - 1 SP - 1 EP - 9 PB - Springer Science and Business Media LLC AN - OPUS4-60801 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Fareed, Adnan A1 - Rosalie, Julian A1 - Kumar, Sourabh A1 - Kar, S. A1 - Hickel, Tilmann A1 - Fähler, S. A1 - Maaß, Robert T1 - Constrained incipient phase transformation in Ni-Mn-Ga films: A small-scale design challenge N2 - Ni-Mn-Ga shape-memory alloys are promising candidates for large strain actuation and magnetocaloric cooling devices. In view of potential small-scale applications, we probe here nanomechanically the stress-induced austenite–martensite transition in single crystalline austenitic thin films as a function of temperature. In 0.5 μm thin films, a marked incipient phase transformation to martensite is observed during nanoindentation, leaving behind pockets of residual martensite after unloading. These nanomechanical instabilities occur irrespective of deformation rate and temperature, are Weibull distributed, and reveal large spatial variations in transformation stress. In contrast, at a larger film thickness of 2 μm fully reversible transformations occur, and mechanical loading remains entirely smooth. Ab-initio simulations demonstrate how an in-plane constraint can considerably increase the martensitic transformation stress, explaining the thickness-dependent nanomechanical behavior. These findings for a shape-memory Heusler alloy give insights into how reduced dimensions and constraints can lead to unexpectedly large transformation stresses that need to be considered in small-scale actuation design. KW - Shape-memory alloys KW - Nanoindentation KW - Incipient plasticity KW - NiMaGa PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-581422 DO - https://doi.org/10.1016/j.matdes.2023.112259 VL - 233 SP - 1 EP - 8 PB - Elsevier B.V. AN - OPUS4-58142 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Wang, Zengquan A1 - Riechers, Birte A1 - Derlet, Peter M. A1 - Maaß, Robert T1 - Atomic cluster dynamics causes intermittent aging of metallic glasses N2 - In the past two decades, numerous relaxation or physical aging experiments of metallic glasses have revealed signatures of intermittent atomic-scale processes. Revealed via intensity cross-correlations from coherent scattering using X-ray photon correlation spectroscopy (XPCS), the observed abrupt changes in the time-domain of atomic motion does not fit the picture of gradual slowing down of relaxation times and their origin continues to remain unclear. Using a binary Lennard-Jones model glass subjected to microsecond-long isotherms, we show here that temporally and spatially heterogeneous atomic-cluster activity at different length-scales drive the emergence of highly non-monotonous intensity cross-correlations. The simulated XPCS experiments reveal a variety of time-dependent intensity-cross correlations that, depending on both the structural evolution and the 𝑞-space sampling, give detailed insights into the possible structural origins of intermittent aging measured with XPCS. KW - Metallic glasses KW - Aging KW - Molecular dynamics KW - XPCS PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-595415 DO - https://doi.org/10.1016/j.actamat.2024.119730 SN - 1359-6454 VL - 267 SP - 1 EP - 9 PB - Elsevier B.V. CY - Amsterdam, Niederlande AN - OPUS4-59541 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Fantin, Andrea A1 - Manzoni, Anna Maria A1 - Springer, H. A1 - Darvishi Kamachali, Reza A1 - Maaß, Robert T1 - Local lattice distortions and chemical short-range order in MoNbTaW N2 - Extended X-ray absorption fine structure (EXAFS) conducted on an equiatomic MoNbTaW bcc medium-entropy alloy that was annealed at 2273 K reveals unexpectedly small 1st and 2nd shell element-specific lattice distortions. An experimental size-mismatch parameter, δexp, is determined to be ca. 50% lower than the corresponding calculated value. Around W, short-range order (SRO) preferring 4d elements in the 1st and 2nd shells persists. A Nb-W ordering is found, which is reminiscent of ordering emerging at lower temperatures in the B2(Mo,W;Ta,Nb)- and B32(Nb,W)-phases. With high-temperature ordering preferences in fcc also foreshadowing low-temperature phase, these findings suggest a general feature of high-temperature SRO. KW - High Entropy Alloys KW - Short-range order KW - Lattice distortions KW - EXAFS PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-598164 DO - https://doi.org/10.1080/21663831.2024.2326014 SN - 2166-3831 VL - 12 IS - 5 SP - 346 EP - 354 PB - Taylor & Francis AN - OPUS4-59816 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 - Karl, D. A1 - Duminy, T. A1 - Lima, P. A1 - Kamutzki, F. A1 - Gili, A. A1 - Zocca, Andrea A1 - Günster, Jens A1 - Gurlo, A. T1 - Clay in situ resource utilization with Mars global simulant slurries for additive manufacturing and traditional shaping of unfired green bodies N2 - The wet processing of regolith simulant for clay in situ resource utilization (ISRU) on Mars is presented. The two raw materials from the Mars global simulant family, one without clay (MGS-1) and one with clay - sodium montmorillonite smectite - (MGS-1C) were milled and mixed to produce a simulant with small particle size and reduced clay content (MGS-1C/8). All three simulants and the pure clay raw material were extensively characterized using XRF, synchrotron XRD, gas adsorption and gas pycnometry methods. In a straightforward processing approach, MGS-1C/8 was mixed with water and different dispersant approaches were investigated, all of which gave stable slurries. Particle size distribution, rheology, ion concentration, pH and electrical conductivity of these slurries were characterized. The slurry systems can easily be adapted to fit all typical ceramic shaping routes and here parts of varying complexity from slip casting, throwing on a potter's wheel and additive manufacturing, including material extrusion (robocasting) and binder jetting (powder bed 3D printing) were produced. The unique properties of the sodium montmorillonite clay, which is readily accessible in conjunction with magnesium sulfate on the Martian surface, acted as a natural nanosized binder and produced high strength green bodies (unfired ceramic body) with compressive strength from 3.3 to 7.5 MPa. The most elaborate additive manufacturing technique layerwise slurry deposition (LSD) produced water-resistant green bodies with a compressive strength of 30.8 ± 2.5 MPa by employing a polymeric binder, which is similar or higher than the strength of standard concrete. The unfired green bodies show sufficient strength to be used for remote Habitat building on Mars using additive manufacturing without humans being present. KW - Mars KW - Smectite KW - Clay ISRU KW - MGS-1 regolith simulant KW - 3D printing KW - Additive manufacturing PY - 2020 DO - https://doi.org/10.1016/j.actaastro.2020.04.064 VL - 174 SP - 241 EP - 253 PB - Elsevier Ltd. AN - OPUS4-50870 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Baesso, Ilaria A1 - Karl, D. A1 - Spitzer, Andrea A1 - Gurlo, A. A1 - Günster, Jens A1 - Zocca, Andrea T1 - Characterization of powder flow behavior for additive manufacturing N2 - The flow behavior of powders has an essential role in many industrial processes, including powder bed additive manufacturing. The characterization of the flow behavior is challenging, as different methods are available, and their suitability for an application in additive manufacturing is still controversial. In this study, six standardized methods (measurement of bulk density by ISO 60 and by ASTM B329, angle of repose by ISO 4324, discharge time by ISO 6186 and by ASTM B964-16, and Hausner Ratio by ASTM 7481 – 18), the rotating drum method (by GranuDrum) and powder rheometry (Anton Paar powder cell), were applied to five size fractions of a crushed quartz sand powder and compared. A statistical approach is proposed and discussed to correlate the obtained flowability indexes with the packing density of powder beds deposited layer-by-layer, and these correlations are compared between methods. Overall, the measurement of bulk density by ASTM B329 that showed the best correlation with the powder bed density. Advanced methods such as the rotating drum method and powder rheometry did not demonstrate particularly good correlations, however they provided complementary information which can be useful to assess the dynamic behavior of powders. KW - Powder flow KW - Flowability KW - Powder bed additive manufacturing KW - Powder rheology PY - 2021 DO - https://doi.org/10.1016/j.addma.2021.102250 SN - 2214-8604 VL - 47 SP - 1 EP - 14 PB - Elsevier CY - Amsterdam AN - OPUS4-53229 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Zocca, Andrea A1 - Müller, Bernd R. A1 - Laquai, René A1 - Kupsch, Andreas A1 - Wieder, Frank A1 - Benemann, Sigrid A1 - Wilbig, Janka A1 - Günster, Jens A1 - Bruno, Giovanni T1 - Microstructural characterization of AP40 apatite-wollastonite glass-ceramic N2 - The microstructure of an apatite-wollastonite (code name AP40) glass-ceramic is analyzed in this study by combining 2D microscopy, phase analysis, X-ray absorption and synchrotron X-ray refraction computed tomography (XCT and SXRCT, respectively). It is shown that this combination provides a useful toolbox to characterize the global microstructure in a wide scale range, from sub-micrometer to millimeter. The material displays a complex microstructure comprising a glassy matrix with embedded fluorapatite and wollastonite small crystals. In this matrix, large (up to 200 μm) spike-shaped structures are distributed. Such microstructural features are oriented around a central sphere, thereby forming a structure resembling a sea urchin. A unique feature of SXRCT, in contrast to XCT, is that internal interfaces are visualized; this allows one to show the 3D distribution of these urchins with exceptionally good contrast. Furthermore, it is revealed that the spike-shaped structures are not single crystals, but rather composed of sub-micrometric crystals, which are identified as fluorapatite and diopside phases by SEM-EDX analysis. KW - Glass-ceramic KW - X-ray refraction KW - Computed tomography KW - Microstructure PY - 2023 DO - https://doi.org/10.1016/j.ceramint.2022.12.130 SN - 0272-8842 VL - 49 IS - 8 SP - 12672 EP - 12679 PB - Elsevier Science CY - Amsterdam AN - OPUS4-57452 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Lanzino, Maria Carolina A1 - Le, Long-Quan R. V. A1 - Wilbig, Janka A1 - Rheinheimer, Wolfgang A1 - Seidenstuecker, Michael A1 - Günster, Jens A1 - Killinger, Andreas T1 - Thin GB14 coatings on implants using HVSFS N2 - Enhancing osseointegration, the process by which medical implants securely bond to bone, is crucial for improving patient outcomes in orthopedics and dental surgery. Calcium alkali orthophosphates, with their superior bioactivity, resorbability, and chemical resemblance to bone minerals, have emerged as promising candidates for implant coatings. These materials offer improved solubility and lower melting points due to the substitution of calcium with potassium and sodium, along with the addition of magnesium oxide. This study investigates GB14 calcium alkali orthophosphate coatings applied via High Velocity Suspension Flame Spraying (HVSFS), a technique that enables precise control over coating properties. A porosity target of &gt;10% was set to promote bone growth, and we achieved porosities up to 13%, ensuring better cell penetration and stability at the implant-bone interface. Coatings were produced using different gas parameters and distances, with their microstructure and phase composition analyzed using scanning electron microscope (SEM), Vickers hardness testing and X-ray diffraction (XRD). Additionally, roughness and porosity were also assessed. Different coating’s microstructures were achieved by varying stand-off distance and gas parameters. Increasing stand-off distance while reducing gas stoichiometry enabled the production of calcium alkali orthophosphate coatings with fewer cracks, higher porosity and a hardness level comparable to that of state-of-the-art tricalcium phosphate (TCP) coatings. The sample with optimized properties in terms of achieved microstructure and topography was selected for in vitro testing using MG63 osteosarcoma cells to evaluate cell proliferation and adhesion. WST (I) assay, LDH assay, and live/dead staining confirmed the biocompatibility of the coatings, highlighting the potential of HVSFS to enhance osseointegration and outperform conventional methods in implantology. No relevant cytotoxicity could be shown and cells show a good proliferation over time. These results highlight thus the potential of HVSFS to produce thin, bioactive and resorbable coatings to enhance osseointegration. KW - Bio ceramics KW - Spray coating PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-623983 DO - https://doi.org/10.3389/fmats.2024.1522447 SN - 2296-8016 VL - 11 IS - 1522447 SP - 1 EP - 14 PB - Frontiers Media SA AN - OPUS4-62398 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Sänger, Johanna Christiane A1 - Schwentenwein, Martin A1 - Bermejo, Raúl A1 - Günster, Jens T1 - Hybridizing Lithography-Based Ceramic Additive Manufacturing with Two-Photon-Polymerization N2 - Stereolithography processes such as lithography-based ceramic manufacturing (LCM) are technologies that can produce centimeter-sized structures in a reasonable time frame. However, for some parts specifications, they lack resolution. Two-photon-polymerization (2PP) ensures the highest geometric accuracy in additive manufacturing so far. Nevertheless, building up parts in sizes as large as a few millimeters or even centimeters is a time-consuming process, which makes the production of 2PP printed parts very costly. Regarding feedstock specification, the requirements for 2PP are different to those for LCM, and generally, feedstocks are designed to meet requirements for only one of these manufacturing technologies. In an attempt to fabricate highly precise ceramic components of a rather large size, it is necessary to develop a feedstock that suits both light-based technologies, taking advantage of LCM’s higher productivity and 2PP’s accuracy. Hybridization should bring the desired precision to the region of interest on reasonably large parts without escalating printing time and costs. In this study, specimens gained from a transparent feedstock with yttria stabilized zirconia (YSZ) particles of 5 nm at 70 wt% were presented. The resin was originally designed to suit 2PP, while being also printable with LCM. This work demonstrates how hybrid parts can be sintered into full YSZ ceramics. KW - Additive Manufacturing KW - Transparent ceramic KW - Nano-powder PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-584541 DO - https://doi.org/10.3390/app13063974 SN - 2076-3417 VL - 13 IS - 6 SP - 1 EP - 9 PB - MDPI CY - Basel AN - OPUS4-58454 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Sänger, Johanna C. A1 - Riechers, Birte A1 - Pauw, Brian Richard A1 - Maaß, Robert A1 - Günster, Jens T1 - Microplastic response of 2PP‐printed ceramics N2 - AbstractTwo‐photon polymerization (2PP) additive manufacturing (AM) utilizes feedstocks of ceramic nanoparticles of a few nanometers in diameter, enabling the fabrication of highly accurate technical ceramic design with structural details as small as 500 nm. The performance of these materials is expected to differ from conventional AM ceramics, as nanoparticles and three‐dimensional printing at high resolution introduce new microstructural aspects. This study applies 2PP‐AM of yttria‐stabilized zirconia to investigate the mechanical response behavior under compressive load, probing the influence of smallest structural units induced by the line packing during the printing process, design of sintered microblocks, and sintering temperature and thereby microstructure. We find a dissipative mechanical response enhanced by sintering at lower temperatures than conventional. The pursued 2PP‐AM approach yields a microstructured material with an increased number of grain boundaries that proposedly play a major role in facilitating energy dissipation within the here printed ceramic material. This microplastic response is further triggered by the filigree structures induced by hollow line packing at the order of the critical defect size of ceramics. Together, these unique aspects made accessible by the 2PP‐AM approach contribute to a heterogeneous nano‐ and microstructure, and hint toward opportunities for tailoring the mechanical response in future ceramic applications. KW - Manufacturing KW - Mechanical properties KW - Microstructure KW - Plasticity KW - Zirconia: yttria stabilized PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-605176 DO - https://doi.org/10.1111/jace.19849 SN - 1551-2916 VL - 107 IS - 10 SP - 6636 EP - 6645 PB - Wiley CY - Oxford AN - OPUS4-60517 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 - You, Zengchao A1 - Hoffmann, V. A1 - Morcillo, Dalia A1 - Agudo Jácome, Leonardo A1 - Leonhardt, Robert A1 - Winckelmann, Alexander A1 - Richter, Silke A1 - Recknagel, Sebastian A1 - Abad Andrade, Carlos Enrique T1 - Investigation of aluminum current collector degradation in lithium-ion batteries using glow discharge optical emission spectrometry N2 - In this work, we employed glow discharge optical emission spectrometry (GD-OES) depth profiling as a fast and semi-quantitative method to investigate the aluminum (Al) current collector degradation in commercial lithium cobalt oxide (LCO) pouch cells with no Al2O3 pretreatment. After battery aging, a heterogeneous deposit was found on the surface of the cathode. Gray hotspot areas within an extensive pale white region were formed. Consistent with energy dispersive X-ray (EDX) analysis of micro-cross sections milled via targeted focused ion beam (FIB), an Al-containing layer of approximately 3 µm can be observed using GD-OES. We attribute one main cause of this layer is the degradation of the Al current collector. The nonuniform growth of this layer was investigated by performing GD-OES depth profiling at different in-plane positions. We found that the gray area has a higher mass concentration of Al, probably in metallic form, whereas the white area was probably covered more homogeneously with Al2O3, resulting from the inhomogeneous distribution of the pitting positions on the current collector. Compared to FIB-EDX, GD-OES enables a faster and more convenient depth profile analysis, which allows the more productive characterization of lithium-ion batteries (LIBs), and consequently benefits the development of preferable battery materials. KW - GD-OES KW - depth profiles KW - Li-ion battery KW - battery aging mechanism KW - current collector corrosion PY - 2023 DO - https://doi.org/10.1016/j.sab.2023.106681 SN - 0584-8547 VL - 205 SP - 106681 PB - Elsevier B.V. CY - Amsterdam, Netherlands AN - OPUS4-57383 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Wang, Lei A1 - Darvishi Kamachali, Reza T1 - Incorporating elasticity into CALPHAD-informed density-based grain boundary phase diagrams reveals segregation transition in Al-Cu and Al-Cu-Mg alloys N2 - The phase-like behavior of grain boundaries (GBs), recently evidenced in several materials, is opening up new possibilities in the design of alloy microstructures. In this context, GB phase diagrams are contributing to a predictive description of GB segregation and (interfacial) phase changes. The influence of chemo-mechanical solute-GB interactions on the GB phase diagram remains elusive so far. This is particularly important for multi-component alloys where the elastic interactions among solute atoms, of various sizes and bonding energies, can prevail, governing a complex co-segregation phenomenon. Recently, we developed a density-based model for GB thermodynamics that intrinsically accounts for GB elasticity in pure elements. In this work, we incorporate the homogeneous and heterogeneous elastic energies associated with the solutes into the density-based framework. We derive the multi-component homogeneous elastic energy by generalizing the continuum misfitting sphere model and extend it for GBs. The density-based free energy functional directly uses bulk CALPHAD thermodynamic data. The model is applied to binary and ternary Al alloys. We reveal that the elastic energy can profoundly affect the GB solubility and segregation behavior, leading to Cu segregation in otherwise Cu-depleted Al GBs. Consequently, GB segregation transition, i.e., a jump in the GB segregation as a function of alloy composition, is revealed in Al-Cu and Al-Cu-Mg alloy systems with implications for subsequent GB precipitation in these alloys. CALPHAD-informed elasticity-incorporated GB phase diagrams enable addressing a broader range of GB phenomena in engineering multi-component alloys. KW - Grain boundary thermodynamics KW - Density-based model KW - Al alloys KW - Grain boundary phase diagram KW - CALPHAD KW - Elastic energy PY - 2021 DO - https://doi.org/10.1016/j.commatsci.2021.110717 VL - 199 SP - 110717 PB - Elsevier B.V. AN - OPUS4-53058 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Stephan-Scherb, Christiane A1 - Lehmusto, Juho A1 - Falk, Florian A1 - Sobol, Oded A1 - Pint, Bruce T1 - Comprehensive insights into competitive oxidation/sulfidation reactions on binary ferritic alloys at high temperatures N2 - Interpreting high-temperature corrosion induced by mixed-gas atmospheres is challenging due to the different contributions of oxidizing gases. Here, a comprehensive study on the combined oxidation/sulfidation using label molecules is presented. Fe-Cr model alloys with 2 wt% and 9 wt% Cr were isothermally exposed using a volumetric mixture of 0.5%S16O2/27%H218O and 0.5%S16O2/7%H218O at 650 ◦C for 5 h and then characterized by secondary ion mass spectroscopy (SIMS). Additionally, the reactions were followed in-situ utilizing energy dispersive X-ray diffraction. The study showed that both S16O2 and H218O contribute to the oxidation of the alloys but to different extents depending on the Cr-content. KW - SEM KW - Steel KW - Iron KW - SIMS PY - 2022 DO - https://doi.org/10.1016/j.corsci.2022.110236 SN - 0010-938X VL - 203 SP - 1 EP - 13 PB - Elsevier Ltd. AN - OPUS4-58992 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Darvishi Kamachali, Reza T1 - A model for grain boundary thermodynamics N2 - Systematic microstructure design requires reliable thermodynamic descriptions of each and all microstructure elements. While such descriptions are well established for most bulk phases, thermodynamic assessment of microstructure defects is challenging because of their individualistic nature. In this paper, a model is devised for assessing grain boundary thermodynamics based on available bulk thermodynamic data. We propose a continuous relative atomic density field and its spatial gradients to describe the grain boundary region with reference to the homogeneous bulk and derive the grain boundary Gibbs free energy functional. The grain boundary segregation isotherm and phase diagram are computed for a regular binary solid solution, and qualitatively benchmarked for the Pt–Au system. The relationships between the grain boundary's atomic density, excess free volume, and misorientation angle are discussed. Combining the current density-based model with available bulk thermodynamic databases enables constructing databases, phase diagrams, and segregation isotherms for grain boundaries, opening possibilities for studying and designing heterogeneous microstructures. KW - Phase Diagram KW - Thermodynamics KW - Grain boundary PY - 2020 VL - 10 IS - 45 SP - 26728 EP - 26741 AN - OPUS4-51268 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Jacobson, David A1 - Darvishi Kamachali, Reza A1 - Thompson, Gregory T1 - Coupling density phase field models with atomistic potentials N2 - A density-based phase field model is developed where the free energy functional is explicitly linked with molecular dynamics and is referred to as the Molecular Phase Field Method (MoPF). MoPF simulations involve expressing interatomic potentials in terms of density to form a density based free energy functional. Inputs to this functional are taken from atomistics such that the phase field density profile matches the corresponding density profile from atomistic simulations. We analyze our results by comparing the MoPF calculated excess interfacial energies with excess interfacial energies calculated using molecular dynamics associated with several nickel grain boundaries. Additionally, a comparison is made between our results and the interfacial energies of a \Sigma7 boundary across a variety of FCC systems simulated using density functional theory. The MoPF method is able to successfully predict grain boundary free energy trends between grain boundary and material types offering an atomistically informed mesoscale formulation for studying grain boundary physics. KW - Density-based Phase-Field Modelling KW - Atomistic Simulation KW - Grain Boundary PY - 2024 DO - https://doi.org/10.1016/j.commatsci.2023.112763 VL - 233 SP - 1 EP - 6 PB - Elsevier AN - OPUS4-59360 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Blank, Robin A1 - Nitschke, Heike A1 - Saliwan Neumann, Romeo A1 - Kranzmann, Axel T1 - Materialographic Preparation of Salt N2 - Molten salt containing systems gain in importance for sustainable energy use and production. For research and development, interactions of molten salts with potential container materials are of major interest. This article introduces preparation procedures to display an intact metal and salt microstructure and their interface using light optical microscopy and scanning electron microscopy. The exemplary material combination is the ternary salt mixture NaCl-KCl-MgCl2 and the low alloyed steel 1.4901 (T92) with a maximum service temperature of 550 °C. These are potential elements/materials for use in latent heat thermal energy storages. KW - Molten salt KW - Corrosion KW - Steel KW - Aging KW - Dry preparation PY - 2021 DO - https://doi.org/10.1515/pm-2022-0058 VL - 59 IS - 10 SP - 628 EP - 640 PB - De Gruyter AN - OPUS4-56048 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Wang, Lei A1 - Darvishi Kamachali, Reza T1 - CALPHAD integrated grain boundary co-segregation design: Towards safe high-entropy alloys N2 - Along with the desire for developing novel multi-principal element alloys, also known as high-entropy alloys, the concern about their safe application is also increasingly growing. This relates to the alloys’ phase stability, in particular, the control required over unexpected phase decompositions resulting from solute segregation at grain boundaries. Yet, the mechanisms of co-segregation and grain boundary phase decomposition in multi-component alloys are rather challenging to explore. In fact, quantitative investigation of grain boundary behaviors is mostly conducted for binary and a few ternary alloys. In this work, we apply the recently introduced CALPHAD-integrated density-based formalism [RSC Advances 10 (2020) 26728-26741] for considering co-segregation phenomena in alloys with an arbitrary number of components —the term ‘co-segregation’ here refers to co-evolution and any mutual interplay among the solute atoms during their interaction with a grain boundary. Quaternary Fe-Co-Mn-Cr alloy system is studied. We present two major advances beyond previous results: First, a co-segregation-induced multi-component grain boundary spinodal decomposition is quantitatively simulated for the first time. We found that in addition to its low cohesive energy and asymmetrical mixing enthalpy due to magnetic ordering, Mn plays a leading role in triggering interfacial phase decomposition by having a relatively large, concentration-dependent atomic mobility. Second, as an alternative to grain boundary phase diagrams proposed for binary and ternary alloys, we introduce the concept of co-segregation maps for grain boundary segregation screening and design in multi-component alloys. Applying the co-segregation maps, the nonlinear Mn and Cr co-segregation are discussed. Depicted on the alloying composition and phase space, the co-segregation maps enable the required insights to guide a safer, more controlled design of high-entropy alloys. KW - High-Entropy Materials KW - Density-based Phase-Field Modelling KW - CALPHAD KW - Alloys' Safety PY - 2023 DO - https://doi.org/10.1016/j.jallcom.2022.167717 SN - 0925-8388 VL - 933 SP - 1 EP - 12 PB - Elsevier CY - Lausanne AN - OPUS4-56274 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Richter, Tim A1 - Schröpfer, Dirk A1 - Rhode, Michael A1 - Boerner, Andreas A1 - Saliwan Neumann, Romeo A1 - Schneider, M. A1 - Laplanche, G. T1 - Influence of machining on the surface integrity of high- and medium-entropy alloys N2 - High- and medium-entropy alloys (HEAs) are a quite new class of materials. They have a high potential for applications from low to high temperatures due to the excellent combination of their structural properties. Concerning their application as components; processing properties, such as machinability, have hardly been investigated so far. Hence, machinability analyses with a focus on the influence of the milling process and its basic parameters (cutting speed, feed per cutting edge) on the resulting surface integrity of specimens from an equiatomic high- (CoCrFeMnNi) and a medium- (CoCrNi) entropy alloy have been carried out. A highly innovative milling process with ultrasonic assistance (USAM) was compared to conventional milling processes. Recent studies have shown that USAM has a high potential to significantly reduce the mechanical load on the tool and workpiece surface during milling. In this study, the basic machining and ultrasonic parameters were systematically varied. After machining, the surface integrity of the alloys was analyzed in terms of topography, defects, subsurface damage, and residual stresses. It was observed that USAM reduces the cutting forces and increases the surface integrity in terms of lower tensile residual stresses and defect density near the surfaces for the CoCrFeMnNi alloy. It was shown that the cutting forces and the metallurgical influence in the sub surface region are reduced by increasing the cutting speed and reducing the feed rate per cutting edge. With the CoCrNi alloy, the tool revealed severe wear. As a result, for this alloy no influence of the parameters on the machinability could be determined. KW - High Entropy Alloy KW - Medium Entropy Alloys KW - Ultrasonic assited machining PY - 2022 DO - https://doi.org/10.1016/j.matchemphys.2021.125271 SN - 0254-0584 VL - 275 SP - 125271 PB - Elsevier B.V. AN - OPUS4-53606 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Dzugan, J. A1 - Lucon, E. A1 - Koukolikova, M. A1 - Li, Y. A1 - Rzepa, S. A1 - Yasin, M.S. A1 - Shao, S. A1 - Shamsaei, N. A1 - Seifi, M. A1 - Lodeiro, M. A1 - Lefebvre, F. A1 - Mayer, U. A1 - Olbricht, Jürgen A1 - Houska, M. A1 - Mentl, V. A1 - You, Z. T1 - ASTM interlaboratory study on tensile testing of AM deposited and wrought steel using miniature specimens N2 - An interlaboratory study, involving eigth international laboratories and coordinated by COMTES FHT (Czech Republic), was conducted to validate tensile measurements obtained using miniature specimens on additively manufactured (AM) components and artifacts. In addition to AM 316L stainless steel (316L SS), a wrought highstrength steel (34CrNiMo6V, equivalent to AISI 4340) was also used. Based on the results, a precision statement in accordance with ASTM E691 standard practice was developed, intended for inclusion in a proposed annex to the ASTM E8/E8M tension testing method. The primary outcomes of the study highlighted the agreement between yield and tensile strength measured from miniature and standard-sized tensile specimens. Furthermore, most tensile properties exhibited similar standard deviations, offering users insight into the efficacy of miniature specimen applications. KW - 316L stainless steel KW - Additive manufacturing KW - High-strength steel KW - Miniature specimens KW - Tensile tests PY - 2024 DO - https://doi.org/10.1016/j.tafmec.2024.104410 SN - 0167-8442 VL - 131 SP - 1 EP - 13 PB - Elsevier B.V. AN - OPUS4-60180 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Darvishi Kamachali, Reza A1 - Wang, L. T1 - Elastic energy of multi-component solid solutions and strain origins of phase stability in high-entropy alloys N2 - The elastic energy of mixing for multi-component solid solutions is derived by generalizing Eshelby's sphere-in-hole model. By surveying the dependence of the elastic energy on the chemical composition and lattice misfit, we derive a lattice strain coefficient λ*. Studying several high-entropy alloys and superalloys, we propose that most solid solution multi-component alloys are stable when λ*<0.16, generalizing the Hume-Rothery atomic-size rule for binary alloys. We also reveal that the polydispersity index δ, frequently used for describing strain in multi-component alloys, directly represents the elastic energy e with e=qδ², q being an elastic constant. Furthermore, the effects of (i) the number and (ii) the atomic-size distribution of constituting elements on the phase stability of high-entropy alloys were quantified. The present derivations and discussions open for richer considerations of elastic effects in high-entropy alloys, offering immediate support for quantitative assessments of their thermodynamic properties and studying related strengthening mechanisms. KW - Ordering KW - High-entropy alloys KW - Alloy design KW - Strain energy KW - Phase stability PY - 2022 DO - https://doi.org/10.1016/j.scriptamat.2021.114226 SN - 1359-6462 VL - 206 SP - 1 EP - 6 PB - Elsevier CY - Amsterdam AN - OPUS4-53427 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Epishin, A. I. A1 - Fedelich, Bernard A1 - Viguier, B. A1 - Schriever, Sina A1 - Svetlov, I. L. A1 - Petrushin, N. V. A1 - Saillard, R. A1 - Proietti, A. A1 - Poquillon, D. A1 - Chyrkin, A. T1 - Creep of single-crystals of nickel-base γ-alloy at temperatures between 1150 °C and 1288 °C N2 - A γ-analogue of the superalloy CMSX-4 that does not contain the strengthening γ′ -phase and only consists of the γ-solid solution of nickel has been designed, solidified as single-crystals of different orientations, and tested under creep conditions in the temperature range between 1150 and 1288 °C. The tests have revealed a very high creep anisotropy of this alloy, as was previously found for CMSX-4 at supersolvus temperature of 1288 °C. This creep anisotropy could be explained by the dominance of 〈011〉{111} octahedral slip. Furthermore, the analysis of the creep data has yielded a high value of the creep activation energy, Qc≈442 kJ/mol, which correlates with the high activation energy of Re diffusion in Ni. This supports the hypothesis that dislocation motion in the γ-matrix of Re-containing superalloys is controlled by the diffusion of the Re atoms segregating at the dislocation core. The Norton stress exponent n is close to 5, which is a typical value for pure metals and their alloys. The absence of γ′ -reprecipitation after high-temperature creep tests facilitates microstructural investigations. It has been shown by EBSD that creep deformation results in an increasing misorientation of the existing low angle boundaries. In addition, according to TEM, new low angle boundaries appear due to reactions of the a/2 〈011〉 mobile dislocations and knitting of new networks. KW - Nickel alloys KW - Single-crystals KW - Creep KW - Electron microscopy KW - Deformation mechanisms PY - 2021 DO - https://doi.org/10.1016/j.msea.2021.141880 SN - 0921-5093 VL - 825 SP - 1 EP - 13 PB - Elsevier CY - Amsterdam AN - OPUS4-53132 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Gesell, Stephan A1 - Ganesh, R. A1 - Fedelich, Bernard A1 - Kuna, M. A1 - Kiefer, B. T1 - Numerical calculation of 𝛥CTOD to simulate fatigue crack growth under large scale viscoplastic deformations N2 - Crack propagation under low cycle fatigue and thermomechanical fatigue is characterized by high plastic and creep strains that extend over large regions around the crack, so that concepts of linear-elastic fracture mechanics cannot be applied. In these cases, the cyclic crack tip opening displacement 𝛥CTOD is a promising loading parameter to quantify crack growth. In this work, suitable definitions and Finite Element techniques are investigated and compared for an accurate calculation of 𝛥CTOD under cyclic mechanical and/or thermal loading. A viscoplastic temperature dependent material model of Chaboche-type is used along with large strain settings, specified for the austenitic cast iron Ni-resist. Extensive two-dimensional analyses of Single Edge Notch Tension specimens revealed that collapsed special crack tip elements are superior compared with commonly used regular quadrilateral 8-node elements. At the same level of accuracy of 𝛥CTOD, they require an about ten times coarser mesh and show less sensitivity w.r.t. element size for both stationary and propagating cracks. In order to simulate fatigue crack growth, an efficient, fully automated FE-technique is developed for an incremental crack propagation by successive remeshing, whereby the deformations and internal state variables are mapped from the old mesh onto the new one. Recommendations are made regarding important numerical control parameters like optimal size of crack tip elements, length of crack growth increment in relation to plastic zone size and 𝛥CTOD value. KW - Crack tip opening displacement KW - Finite element analysis KW - Crack growth KW - Low cycle fatigue PY - 2023 DO - https://doi.org/10.1016/j.engfracmech.2023.109064 VL - 281 IS - 109064 SP - 1 EP - 23 PB - Elsevier Ltd. AN - OPUS4-56857 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Gottlieb, Cassian A1 - Gojani, Ardian A1 - Völker, Tobias A1 - Günther, Tobias A1 - Gornushkin, Igor B. A1 - Wilsch, Gerd A1 - Günster, Jens T1 - Investigation of grain sizes in cement-based materials and their influence on laser-induced plasmas by shadowgraphy and plasma imaging N2 - The effect of particle grain sizes in different cement-based mixtures on the laser-induced plasma evolution is studied using two experimental methods: (i) temporal and spatial evolution of the laser-induced shock wave is investigated using shadowgraphy and two-dimensional plasma imaging, and (ii) temporal and spatial distribution of elements in the plasma is investigated using two-dimensional spectral imaging. This study is motivated by the interest in applying laser-induced breakdown spectroscopy (LIBS) for chemical analysis of concrete, and subsequently obtain information related to damage assessment of structures like bridges and parking decks. The distribution of grain sizes is of major interest in civil engineering as for making concrete different aggregate grain sizes defined by a sieving curve (64mm to 0.125 mm) are needed. Aggregates up to a size of 180 μm can be excluded from the data set, therefore only the amount of small aggregates with a grain size below 180 μm must be considered with LIBS. All components of the concrete with a grain size smaller than 0.125mm are related to the flour grain content. Tested samples consisted of dry and hardened cement paste (water-cement ratio w/z=0.5), which served as a reference. Aggregate mixtures were made by adding flour grains (size 40 μm) and silica fume (size 0.1 μm) in different ratios to cement: 10%, 30%, 50% and 60%, all combined to the remaining percentage of dry or hydrated cement. The visualization results show that a dependance in the evolution of the plasma as a function of sample grain size can be detected only in the initial stages of the plasma formation, that is, at the initial 3 μs of the plasma life. Spectral information reveals the elemental distribution of the silicon and calcium in plasma, in both neutral and ionized form. Here also, a significant effect is observed in the first 1 μs of the plasma lifetime. KW - LIBS KW - Cement-based materials KW - Particle size KW - Shadowgraphy KW - Plasma imaging PY - 2020 DO - https://doi.org/10.1016/j.sab.2020.105772 VL - 165 SP - 105772 PB - Elsevier B.V. AN - OPUS4-50319 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Hmood, F. J. A1 - Wilbig, Janka A1 - Nicolaides, Dagmar A1 - Zocca, Andrea A1 - Günster, Jens T1 - An approach to monitor the real-time deformation during heat treatment of 3D-printed glass N2 - This study suggests a tool for a better control on the sintering/crystallization of 3D-printed bioactive glassceramics bodies. A small cantilever in form of a bar with square cross section attached to a base and inclined 34◦ with the horizon, was used to monitor the viscous flow and sintering/crystallization headway of a glassceramic systems. 3D printing and sintering of bioactive glass-ceramics is of great interest for medical care applications. Viscous flow ensures sufficient densification of the typically low density printed green bodies, while crystallization prevents the structure from collapsing under the gravitational load. As a model system, a bioactive glass called BP1 (48.4 SiO2, 1 B2O3, 2 P2O5, 36.6 CaO, 6.6 K2O, 5.6 Na2O (mol%)), which has a chemical composition based on that of ICIE16, was employed in this work. In addition, ICIE16 was used as a reference glass. The results show that the suggested design is a very promising tool to track the real-time deformation of 3D printed glass-ceramic specimens and gives a good indication for the onset of crystallization as well. KW - Real-time deformation KW - Sintering KW - 3D-printing KW - Bioactive glass PY - 2021 DO - https://doi.org/10.1016/j.ceramint.2021.03.334 VL - 47 IS - 14 SP - 20045 EP - 20050 PB - Elsevier Ltd. AN - OPUS4-53449 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Neumann, Christian A1 - Thore, Johannes A1 - Clozel, Mélanie A1 - Günster, Jens A1 - Wilbig, Janka A1 - Meyer, Andreas T1 - Additive manufacturing of metallic glass from powder in space N2 - Additive manufacturing of metals – and in particular building with laser-based powder bed fusion – is highly flexible and allows high-resolution features and feedstock savings. Meanwhile, though space stations in low Earth orbit are established, a set of visits to the Moon have been performed, and humankind can send out rovers to explore Venus and Mars, none of these milestone missions is equipped with technology to manufacture functional metallic parts or tools in space. In order to advance space exploration to long-term missions beyond low Earth orbit, it will be crucial to develop and employ technology for in-space manufacturing (ISM) and in-situ resource utilisation (ISRU). To use the advantages of laser-based powder bed fusion in these endeavours, the challenge of powder handling in microgravity must be met. Here we present a device capable of building parts using metallic powders in microgravity. This was proven on several sounding rocket flights, on which occasions Zr-based metallic glass parts produced by additive manufacturing in space were built. The findings of this work demonstrate that building parts using powder feedstock, which is more compact to transport into space than wire, is possible in microgravity environments. This thus significantly advances ISRU and ISM and paves the way for future tests in prolonged microgravity settings. KW - Metallic Glass KW - Additive Manufacturing KW - Space PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-600667 DO - https://doi.org/10.1038/s41526-023-00327-7 VL - 9 SP - 1 EP - 9 PB - Springer Nature AN - OPUS4-60066 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Diener, S. A1 - Schubert, Hendrik A1 - Günster, Jens A1 - Zocca, Andrea T1 - Ink development for the additive manufacturing of strong green parts by layerwise slurry deposition (LSD-print) N2 - Obtaining dense fine ceramics by the binder jetting additive manufacturing process is challenging. A slurry-based binder jetting process, such as the layerwise slurry deposition (LSD-print) process, can enable the printing of dense ceramic parts. This work describes a procedure to develop and qualify a suitable ink to manufacture silicon carbide green parts by LSD-print. Not only the printability but also the compatibility of the ink with the powder bed and the effect of the binding agent on the properties of the green parts are considered. Both aspects are important to obtain high green strength, which is necessary for printing large or thin-walled parts. Characterization methods, such as rheological and surface tension measurements, are applied to optimize three selected inks. The interplay between ink and powder bed is tested by contact angle measurements and by comparing the biaxial strength of cast and additively manufactured specimens. Out of the three binding agents tested, a polyethyleneimine and a phenolic resin have a high potential for their use in the LSD-print of silicon carbide green bodies, whereas a polyacrylate binding agent did not show the required properties. KW - Silicon carbide KW - Binders/binding KW - Inkjet KW - Printing PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-567911 DO - https://doi.org/10.1111/jace.18951 SN - 0002-7820 SP - 1 EP - 12 PB - Wiley online library AN - OPUS4-56791 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Campbell, C. G. A1 - Jordon Astorga, D. A1 - Dümichen, Erik A1 - Celina, M. T1 - Thermoset materials characterization by thermal desorption or pyrolysis based gas chromatography-mass spectrometry methods N2 - Thermoset materials characterization is often limited to solid state analytical techniques such as IR, NMR, DSC, TGA and mechanical testing. Alternatively, their off-gassing behavior can also be evaluated using GC based techniques such as TD-GC-MS, allowing this method to be applied to thermoset materials analyses such as identification, aging characterization, and formulation optimization. As an overview, common thermoset materials were evaluated by analyzing their gaseous degradation products via TGA-based pyrolysis and subsequent TD-GC-MS for the identification of representative volatile signatures. It is thereby possible to distinguish different classes of phenolic materials or cured epoxy resins, as well as their amine or anhydride curatives. Additionally, this method enabled quantification of a volatile fragment (bisphenol A, BPA) which is associated with oxidation of epoxy/amine thermoset materials. The amount of evolved BPA increased linearly with aging time and this trend exhibits linear Arrhenius behavior over the temperature range (80–125 °C) studied, in agreement with oxidation sensitivies based on oxygen consumption data. Further, TD-GC-MS was used to explore how off-gassing of residual anhydride curative from an epoxy/anhydride material depends on formulation stoichiometry. Even in formulations that theoretically contained enough epoxy to consume all anhydride (1:1 stoichiometry), an imperfect final cure state resulted in residual anhydride which could evolve from the material. For such materials, a slightly epoxy-rich formulation is required to ensure that the material contains no residual unreacted anhydride. Analysis of volatiles generated by thermal exposure is an attractive characterization approach enabling compositional analysis as well as complementary diagnostics for materials degradation. KW - Polymer analysis/characterization KW - Thermal desorption mass spectrometry KW - Thermoset composition KW - Volatiles from thermosets KW - Degradation signatures PY - 2020 DO - https://doi.org/10.1016/j.polymdegradstab.2019.109032 VL - 174 SP - 109032 PB - Elsevier Ltd. AN - OPUS4-50435 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 - Rizzardi, Q. A1 - Derlet, P. M. A1 - Maaß, Robert T1 - Intermittent microplasticity in the presence of a complex microstructure N2 - We demonstrate the gradual shift from scale-free intermittent microplasticity to a scale-dependent behavior via the introduction of a variety of microstructural features within the Al-Cu binary alloy system. As long as the obstacles to dislocation motion remain shearable, the statistics of intermittent microplasticity has fat-tailed contributions. The introduction of incoherent precipitates leads to a complete transition from scale-free powerlaw scaling to an exponential and scale-dependent distribution. These results demonstrate how non-Gaussian interactions survive across different microstructures and further suggest that characteristic microstructural length scales and obstacle pinning-strengths are of secondary importance for the intermittency statistics, as long as dislocations can shear their local environment. KW - Scale-dependent behavior KW - Al-Cu binary alloy system PY - 2022 DO - https://doi.org/10.1103/PhysRevMaterials.6.073602 SN - 2475-9953 VL - 6 IS - 7 SP - 1 EP - 9 PB - American Physical Society AN - OPUS4-55387 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Wallis, Theophilus A1 - Darvishi Kamachali, Reza T1 - Grain boundary structural variations amplify segregation transition and stabilize co-existing spinodal interfacial phases N2 - Grain boundaries (GBs)’s role in determining the functional and mechanical properties of polycrystalline materials is inscribed in both their structure and chemistry. Upon solute segregation, the structure and composition of a GB can change concurrently. We study the co-evolution of GB’s structure and segregation by enhancing the density-based phase-field model to account for the in-plane structural variations in the GB. Significant mutual coupling is revealed between the GB’s chemical and structural states during Mn segregation in Fe-Mn alloys. We found that the structural degrees of freedom in a GB (the ability of the GB structure to respond to the chemical variation) amplifies Mn segregation transition, even when the GB structure stays unchanged. When the GB structure is not uniform, that is the usual case, the coupling between GB structure and segregation evolution also enables the spinodally formed low- and high-Mn phases (upon segregation transition) to co-exist within the GB region. These findings explain the stabilizing mechanism of pronounced interfacial segregation fluctuations, experimentally evidenced in Fe-Mn GBs, and give new insights on the structural sensitivity of GBs’ segregation phenomena and the mutual chemo-structural interplay. KW - Grain boundary engineering KW - Segregation engineering KW - Grain boundary structure KW - Fe-Mn steels PY - 2022 DO - https://doi.org/10.1016/j.actamat.2022.118446 SN - 1359-6454 VL - 242 PB - Elsevier Ltd. AN - OPUS4-56160 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Derlet, P. A1 - Bocquet, H. A1 - Maaß, Robert T1 - Viscosity and transport in a model fragile metallic glass N2 - How thermally activated structural excitations quantitatively mediate transport and microplasticity in a model binary glass at the microsecond timescale is revealed using atomistic simulation. These local excitations, involving a stringlike sequence of atomic displacements, admit a far-field shear-stress signature and underlie the transport of free-volume and bond geometry. Such transport is found to correspond to the Evolution of a disclination network describing the spatial connectivity of topologically distinct bonding environments, demonstrating the important role of geometrical frustration in both glass structure and its underlying dynamics. KW - Metallic glass KW - Viscosity PY - 2021 DO - https://doi.org/10.1103/PhysRevMaterials.5.125601 SN - 2475-9953 VL - 5 SP - 1 EP - 7 PB - American Physical Society CY - College Park, MD AN - OPUS4-54152 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Maximilian, Thuy A1 - Spyrantis, Alexander A1 - Böhning, Martin A1 - Niebergall, Ute A1 - Maaß, Robert T1 - Spatially resolved roughness exponent in polymer fracture N2 - The fracture surface of slow and continuous crack propagation during environmental stress cracking of a semicrystalline polyethylene exhibits isotropic roughness exponents at the local scale but resolved across the macroscopic fracture surface a clear position dependence is found. The spatially resolved roughness exponent admits values in the range between 0.1 and 0.4, demonstrating nontrivial exponents in the small length-scale regime. Instead, they vary across the fracture surface according to the stress-state distribution, which suggests that the exponents are intimately linked to the locally dominating dissipation processes during craze cracking. KW - Plasticity KW - Fracture KW - Material failure KW - Mechanical deformation PY - 2022 DO - https://doi.org/10.1103/PhysRevMaterials.6.L090601 VL - 6 IS - 9 SP - 1 EP - 7 PB - American Physical Society CY - USA, Maryland AN - OPUS4-55797 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Shimada, Y. A1 - Ikeda, Yuki A1 - Yoshida, K. A1 - Sato, M. A1 - Chen, J. A1 - Du, Y. A1 - Inoue, K. A1 - Maaß, Robert A1 - Nagai, Y. A1 - Konno, T. T1 - In situ thermal annealing transmission electron microscopy of irradiation induced Fe nanoparticle precipitation in Fe–Si alloy N2 - The typical experimental conditions inside a transmission electron microscope (TEM), such as ultra-high vacuum, high-energy electron irradiation, and surface effects of ultrathin TEM specimens, can be the origin of unexpected microstructural changes compared with that of bulk material during in situ thermal-annealing experiments. In this paper, we report on the microstructural changes of a Fe–15%Si alloy during in situ TEM annealing, where, in its bulk form, it exhibits an ordering transformation from D03 to B2 at 650 °C. Using a heating-pot type double tilt holder with a proportional–integral–differential control system, we observed the precipitation of α-Fe both at the sample surface and inside the sample. Surface precipitates formed via surface diffusion are markedly large, several tens of nm, whereas precipitates inside the specimen, which are surrounded by Fe-poor regions, reach a maximum size of 20 nm. This unexpected microstructural evolution could be attributed to vacancies on Si sites, which are induced due to high-energy electron irradiation before heating, as well as enhanced thermal diffusion of Fe atoms. KW - In situ thermal-annealing experiment KW - Microstructural changes of a Fe Si alloy KW - Microstructural evolution PY - 2022 DO - https://doi.org/10.1063/5.0070471 SN - 0021-8979 VL - 131 IS - 16 SP - 1 EP - 8 PB - AIP Publishing AN - OPUS4-54728 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Ikeda, Yuki A1 - Nishijima, M. A1 - Kiguchi, T. A1 - Konno, T. T1 - Crystal structure characterization of martensite of Cu–Zn–Al ternary alloy by spherical aberration corrected scanning transmission electron microscopy N2 - The crystal structure of martensite in Cu-27at.%Zn-9.0 at.%Al alloy has been studied by using sphericalaberration-corrected high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) and geometrical phase analysis (GPA) to examine possible changes in atomic rearrangements during martensitic transformation of this ternary system. Observation along [100]M zone axis is suitable for examining a chemical order of the martensite, and showed that, despite the non-stoichiometry of the alloy, atomic columns containing Al atoms are imaged and distinguished from the others. On the other hand, observation along [010]M zone axis directly revealed that the parent and martensitic phases possess L21 and 18R (21) structures, respectively. These observations suggested that the martensite retained the local chemical order of the parent phase without shuffling before and after the transformation. GPA revealed that the interface between the two phases was coherent with tilting of the basal plane approximately 6◦ across the boundary, which makes otherwise large inclination small during the martensitic transformation. KW - Shape-memory alloys KW - Martensitic transformation KW - Martensitic structure KW - Electron microscopy, transmission PY - 2021 DO - https://doi.org/10.1016/j.intermet.2021.107286 SN - 0966-9795 VL - 137 PB - Elsevier Ltd. AN - OPUS4-53076 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Maaß, Robert T1 - The Federal Institute of Materials Research and Testing (BAM) – 150 Years of Enabling Scientific and Technological Breakthrough N2 - BAM! This issue of Advanced Engineering Materials celebrates 150 years of scientific and technical research at the interface between academia, industry and politics. Rooted in 1871 at the birth of the German Empire and at that time located in simple basements and barracks, the institutional development began around mechanical metallurgy of iron and steel and represents today a diverse portfolio of fore-front research that orients itself along tomorrow's societal challenges and long-term research horizons. KW - 150 Years KW - Adolf Martens PY - 2022 DO - https://doi.org/10.1002/adem.202200648 VL - 24 IS - 6 SP - 1 EP - 3 PB - Wiley-VCH GmbH AN - OPUS4-55388 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 - Das, A. A1 - Dufresne, E.M. A1 - Maaß, Robert T1 - Structural dynamics and rejuvenation during cryogenic cycling in a Zr-based metallic glass N2 - Subjecting metallic glasses repeatedly to liquid nitrogen temperature has become a popular method to homogeneously rejuvenate the material. Here we reveal the atomic-scale structural dynamics using in- situ x-ray photon correlation spectroscopy (XPCS) during and after cryogenic cycling of a Zr-based metallic glass in two structural states (plate and ribbon). Heterogeneous structural dynamics is observed at 300 K that changes to monotonic aging at 78 K. It is found that cryogenic cycling homogenizes the relaxation time distribution. This effect is much more pronounced in the ribbon, which is the only structural state that rejuvenates upon cycling. We furthermore reveal how fast atomic-scale dynamics is correlated with longtime structural relaxation times irrespective of the structural state, and that the ribbon exhibits unexpected additional fast atomic-scale relaxation in comparison to the plate material. A structural picture emerges that points towards heterogeneities in the fictive temperature as a requirement for cryogenic energy storage. KW - Structural dynamics KW - Metallic glass KW - Relaxation KW - Rejuvenation KW - Cryogenic cycling PY - 2020 DO - https://doi.org/10.1016/j.actamat.2020.06.063 SN - 1359-6454 VL - 196 SP - 723 EP - 732 PB - Elsevier Ltd. AN - OPUS4-51311 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Abboud, M. A1 - Motallebzadeh, A. A1 - Duygulu, O. A1 - Maaß, Robert A1 - Özerinc, S. T1 - Microstructure and nanomechanical behavior of sputtered CuNb thin films N2 - We report on the mechanical properties of Cu–Nb alloys produced by combinatorial magnetron sputtering. Depending on the composition, the microstructure is either fully amorphous (~30–65 at.% Cu), a dispersion of Cu crystallites in an amorphous matrix (~70 at.%), or a dominant crystalline phase with separated nanoscale amorphous zones (~80 at.% Cu). Nanomechanical probing of the different microstructures reveals that the hardness of the fully amorphous alloy is much higher than a rule of mixture would predict. We further demonstrate a remarkable tunability of the resistance to plastic flow, ranging from ca. 9 GPa in the amorphous regime to ca. 2 GPa in the fully crystalline regime. We rationalize these findings based on fundamental structural considerations, thereby highlighting the vast structure-property design space that this otherwise immiscible binary alloy provides. KW - Deposition microstructure KW - Metallic glasses KW - Thin films KW - Mechanical properties KW - Nanocrystalline structure PY - 2021 DO - https://doi.org/10.1016/j.intermet.2021.107249 SN - 0966-9795 VL - 136 SP - 1 EP - 7 PB - Elsevier CY - Amsterdam AN - OPUS4-52777 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Rizzardi, Q. A1 - Derlet, P. M. A1 - Maaß, Robert T1 - Microstructural signatures of dislocation avalanches in a high-entropy alloy N2 - Here, we trace in situ the slip-line formation and morphological signature of dislocation avalanches in a highentropy alloy with the aim of revealing their microstructural degree of localization. Correlating the intermittent microplastic events with their corresponding slip-line patterns allows defining two main event types, one of which is linked to the formation of new slip lines, whereas the other one involves reactivation of already existing slip lines. The formation of new slip lines reveals statistically larger and faster avalanches. The opposite tendency is seen for avalanches involving reactivation of already existing slip lines. The combination of both these types of events represents the highest degree of spatial avalanche delocalization that spans the entire sample, forming a group of events that determine the truncation length scale of the truncated power-law scaling. These observations link the statistics of dislocation avalanches to a microstructural observable. KW - High-entropy alloy KW - Dislocation avalanches PY - 2021 DO - https://doi.org/10.1103/PhysRevMaterials.5.043604 SN - 2475-9953 VL - 5 IS - 4 SP - 3604 PB - American Physical Society CY - College Park, MD AN - OPUS4-52458 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Honrao, S. J. A1 - Rizzardi, Q. A1 - Maaß, Robert A1 - Trinkle, D. R. A1 - Hennig, R. G. T1 - Split-vacancy defect complexes of oxygen in hcp and fcc cobalt N2 - One of the most ubiquitous and important defects in solids is oxygen. Knowledge about the solubility and diffusivity of oxygen in materials is crucial to understand a number of important technological processes, such as oxidation, corrosion, and heterogeneous catalysis. Density-functional theory calculations of the thermodynamics and kinetics of oxygen in cobalt show that oxygen diffusing into the two close-packed phases, namely α (hcp) and β (fcc), strongly interacts with vacancies.We observe the formation of oxygen split-vacancy centers (V-Oi-V) in both phases, and we show that this defect complex exhibits a similar migration energy barrier to the vacancy and oxygen interstitials. In contrast to the vacancy and oxygen interstitials, the oxygen split-vacancy centers exhibit an anisotropic strain field that couples to applied stress, making it possible to observe them through an internal friction experiment on quenched cobalt. KW - Split-vacancy defect complexes PY - 2020 DO - https://doi.org/10.1103/PhysRevMaterials.4.103608 VL - 4 IS - 10 SP - 103608-1 EP - 103608-9 PB - American Physical Society AN - OPUS4-51582 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Ikeda, Yuki A1 - Mancias, J. A1 - Gan, B. A1 - Maaß, Robert T1 - Evidence of room-temperature shear-deformation in a Cu-Al intermetallic N2 - Lamellar eutectics are known to evidence plastic shear in otherwise brittle intermetallics, if the lamella spacing is small enough. Here we pursue this idea of confined plasticity in intermetallics further and demonstrate room-temperature shear-deformation in a two-phase CuAl 2 -CuAl intermetallic nano- composite. The presence of a phase with a 3-fold symmetry is also revealed after deformation. Simula- tion of transmission electron microscopy images shows this to be monoclinic CuAl. These observations are made in the deformation zone underneath locations of nanoindents, of which the force-displacement curves exhibit an unusual response of continuously increasing pop-in sizes with load. KW - Nanoindentation KW - Intermetallic KW - Nano-composite KW - Shear bands KW - Plasticity PY - 2021 DO - https://doi.org/10.1016/j.scriptamat.2020.08.033 VL - 190 SP - 126 EP - 130 PB - Elsevier Ltd. AN - OPUS4-52455 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Holzer, Marco A1 - Waurischk, Tina A1 - George, Janine A1 - Maaß, Robert A1 - Müller, Ralf T1 - Silicate glass fracture surface energy calculated from crystal structure and bond-energy data N2 - We present a novel method to predict the fracture surface energy, γ, of isochemically crystallizing silicate glasses using readily available crystallographic structure data of their crystalline counterpart and tabled diatomic chemical bond energies, D0. The method assumes that γ equals the fracture surface energy of the most likely cleavage plane of the crystal. Calculated values were in excellent agreement with those calculated from glass density, network connectivity and D0 data in earlier work. This finding demonstrates a remarkable equivalence between crystal cleavage planes and glass fracture surfaces. KW - Glass KW - Fracture surface energy KW - Toughness KW - Modeling KW - Mechanical properties PY - 2023 DO - https://doi.org/10.1016/j.jnoncrysol.2023.122679 SN - 0022-3093 VL - 622 SP - 1 EP - 6 PB - Elsevier B.V. AN - OPUS4-58767 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Derlet, P. M. A1 - Maaß, Robert T1 - Optimally rejuvenated model binary glasses N2 - Using the creation relaxation algorithm developed for the atomistic modeling of the high-dose irradiation limit of crystalline systems, we explore the limits of the structural rejuvenation of a highly excited model binary glass. This high-energy athermal amorphous structure exhibits a direct transition to homogeneous plastic flow and a microstructure that is largely insensitive to this flow, being characterized by a porous system-spanning network of minimally frustrated structural motifs. The observed homogeneous plasticity is mediated by the same string-like structural excitations, which mediate structural relaxation and microplasticity at finite temperature in more relaxed structures. This highly rejuvenated structural asymptote is not far from the structural state of regions, which have experienced athermal shear localization in more relaxed samples, suggesting an optimally rejuvenated glassy structure will always be limited by that produced by shear localization. KW - Metallic glasses KW - Creation-relaxation algorithm KW - Shear PY - 2022 DO - https://doi.org/10.1103/PhysRevMaterials.6.125604 VL - 6 IS - 12 SP - 1 EP - 13 PB - American Physical Society AN - OPUS4-56741 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kar, S. A1 - Ikeda, Yuki A1 - Lünser, K. A1 - Woodcock, Th. G. A1 - Nielsch, K. A1 - Reith, H. A1 - Maaß, Robert A1 - Fähler, S. T1 - Growth Twins and Premartensite Microstructure in Epitaxial Ni-Mn-Ga Films N2 - Magnetic shape memory alloys have been examined intensively due to their multifunctionality and multitude of physical phenomena. For both areas, epitaxial films are promising since the absence of grain boundaries is beneficial for applications in microsystems and they also allow to understand the influence of a reduced dimension on the physical effects. Despite many efforts on epitaxial films, two particular aspects remain open. First, it is not clear how to keep epitaxial growth up to high film thickness, which is required for most microsystems. Second, it is unknown how the microstructure of premartensite, a precursor state during the martensitic transformation, manifests in films and differs from that in bulk. Here, we focus on micrometer-thick austenitic Ni-Mn-Ga films and explain two distinct microstructural features by combining high-resolution electron microscopy and X-ray diffraction methods. First, we identify pyramid-shaped defects, which originate from {1 1 1} growth twinning and cause the breakdown of epitaxial growth. We show that a sufficiently thick Cr buffer layer prevents this breakdown and allows epitaxial growth up to a thickness of at least 4 μm. Second, premartensite exhibits a hierarchical microstructure in epitaxial films. The reduced dimension of films results in variant selection and regions with distinct premartensite variants, unlike its microstructure in bulk. KW - Alloy KW - Epitaxial films KW - Hierarchical microstructure Premartensite KW - Twinning KW - Magnetic shape memory PY - 2023 DO - https://doi.org/10.1016/j.actamat.2023.118902 SN - 1359-6454 VL - 252 SP - 1 EP - 10 PB - Elsevier B.V. AN - OPUS4-57301 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -