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 U6 - 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 - GEN A1 - Jacobasch, Stefan A1 - Duffner, Eric A1 - Goedecke, Thomas A1 - Portella, Pedro Dolabella A1 - Mair, Georg A1 - Schendler, Thomas A1 - Gradt, Thomas A1 - Askar, Enis A1 - Bartholmai, Matthias A1 - Schröder, Volkmar A1 - Maiwald, Michael A1 - Holtappels, Kai A1 - Tschirschwitz, Rico A1 - Neumann, Patrick P. T1 - Unser Beitrag zum Thema Wasserstoff N2 - Die BAM ist nahezu über die gesamte Wertschöpfungskette hinweg wissenschaftlich tätig. Von der sicheren und effizienten Wasserstofferzeugung (POWER-to-GAS), über die (Zwischen-)Speicherung von Wasserstoff in Druckgasspeichern bis hin zum Transport bspw. mittels Trailerfahrzeug zum Endverbraucher. Komplettiert werden die Aktivitäten der BAM durch die sicherheitstechnische Beurteilung von wasserstoffhaltigen Gasgemischen, die Verträglichkeitsbewertung von Werkstoffen bis hin zur Detektion von Wasserstoffkonzentrationen über geeignete Sensorik, auch mittels ferngesteuerter Messdrohnen (sog. UAV-Drohnen). Zudem untersucht die BAM proaktiv Schadensrisiken und Unfallszenarien für die Sicherheitsbetrachtung, um mögliche Schwachstellen aufzeigen und potenzielle Gefährdungen erkennen zu können. KW - Wasserstoff KW - Wasserstofferzeugung KW - Energiespeicherung KW - Gasdetektion KW - Risikoanalyse KW - Power-to-Gas KW - Explosionsschutz KW - Tribologie KW - Druckgasspeicher KW - Glasspeicher KW - Gassensorik KW - Mini-UAV PY - 2019 SP - 1 CY - Berlin AN - OPUS4-47960 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Scherb, T. A1 - Fantin, Andrea A1 - Checcia, S. A1 - Stephan-Scherb, Christiane A1 - Escolástico, S. A1 - Franz, A. A1 - Seeger, J. A1 - Meulenberg, W. A. A1 - d'Acapito, F. A1 - Serra, J. M. T1 - Unravelling the crystal structure of Nd5.8WO12-d and Nd5.7W0.75Mo0.25O12-d mixed ionic electronic conductors N2 - Mixed ionic electronic conducting ceramics Nd6-yWO12-d (d is the Oxygen deficiency) provide excellent stability in harsh environments containing strongly reactive gases such as CO2, CO, H2, H2O or H2S. Due to this chemical stability, they are promising and cost-efficient candidate materials for gas separation, catalytic membrane reactors and protonic ceramic fuel cell technologies. As in La6-yWO12-d, the ionic/electronic transport mechanism in Nd6-yWO12-d is expected to be largely controlled by the crystal structure, the conclusive determination of which is still lacking. This work presents a crystallographic study of Nd5.8WO12-d and molybdenum-substituted Nd5.7W0.75Mo0.25O12-d prepared by the citrate complexation route. High-resolution synchrotron and neutron powder diffraction data were used in combined Rietveld refinements to unravel the crystal structure of Nd5.8WO12-d and Nd5.7W0.75Mo0.25O12-d. Both investigated samples crystallize in a defect fluorite crystal structure with space group Fm3m and doubled unit-cell parameter due to cation ordering. Mo replacesWat bothWyckoff sites 4a and 48h and is evenly distributed, in contrast with La6-yWO12-d. X-ray absorption spectroscopy as a function of partial pressure pO2 in the near-edge regions excludes oxidation state changes of Nd (Nd3+) and W(W6+) in reducing conditions: the enhanced hydrogen permeation, i.e. ambipolar conduction, observed in Mo-substituted Nd6-yWO12-d is therefore explained by the higher Mo reducibility and the creation of additional – disordered – oxygen vacancies. KW - Powder diffraction KW - Mixed conductors KW - X-ray absorption spectroscopy PY - 2020 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:b43-514607 VL - 53 SP - 1471 EP - 1483 AN - OPUS4-51460 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Stephan-Scherb, Christiane T1 - Unravelling high temperature oxidation phenomena by in situ x-ray techniques N2 - Unravelling high temperature oxidation phenomena by in situ x-ray techniques. A multi techqnique approach to study high temperature gas corrosion is presented. T2 - Gordon Research Conference on High Temperature Corrosion CY - New London, NH, USA DA - 20.07.2019 KW - Corrosion KW - High temperature KW - Diffraction KW - Spectroscopy PY - 2019 AN - OPUS4-48772 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Maaß, Robert T1 - Tracing structural dynamics in metallic glasses during cryogenic cycling N2 - Highly unrelaxed structural states of metallic glasses have often advantageous mechanical properties. Since metallic glasses continuously relax with time (age) or inherently are well relaxed after processing, methods to uniformly rejuvenate the material are needed. One approach that has received attention is the so-called cryogenic-cycling method, during which a metallic glass is repeatedly immersed into liquid nitrogen. In some cases, cryogenic cycling is truly efficient in increasing the stored excess enthalpy of metallic glasses, but it does not seem to be universally applicable to all alloys and structural states. The origins for these differences remain unclear due to our limited understanding of the underlying structural evolution. In order to shed more light onto the fundamental structural processes of cryogenic cycling, we pursue in-situ x-ray photon correlation spectroscopy (XPCS) to trace the atomic-scale structural dynamics of a Zr-based metallic glass in two different structural states (ribbon and bulk metallic glass). This method allows calculating the relaxation times as a function of time throughout the thermal cycling. It is found that the investigated glasses exhibit heterogeneous structural dynamics at 300 K, which changes to monotonic aging at 78 K. Cryogenic cycling homogenizes the relaxation time distribution for both structural states. This effect is much more pronounced in the ribbon, which is the only structural state that rejuvenates upon cycling. We furthermore reveal how fast atomic-scale dynamics is correlated with long-time average structural relaxation times irrespective of the state, and that the ribbon exhibits unexpected additional fast atomic-scale relaxation in comparison to the plate material. Overall, a picture emerges that points towards heterogeneities in fictive temperature as a requirement for cryogenic energy storage. T2 - MRS Fall 2020 - Invited Talk CY - Boston, MA, USA DA - 27.11.2020 KW - Relaxation metallic glasses PY - 2020 AN - OPUS4-59542 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Lunkenheimer, P. A1 - Loidl, A. A1 - Riechers, Birte A1 - Zaccone, A. A1 - Samwer, K. T1 - Thermal expansion and the glass transition N2 - Melting is well understood in terms of the Lindemann criterion, which essentially states that crystalline materials melt when the thermal vibrationsof their atoms become so vigorous that they shake themselves free of the binding forces. This picture does not necessarily have to hold for glasses, where the nature of the solid–liquid cross-over is highly debated. The Lindemann criterion implies that the thermal expansion coefficients of crystals are inversely proportional to their melting temperatures. Here we find that, in contrast, the thermal expansion coefficient of glasses decreases more strongly with increasing glass temperature, which marks the liquid–solid cross-over in this material class. However, this proportionality returns when the thermal expansion coefficient is scaled by the fragility, a measure of particle cooperativity. Therefore, for a glass to become liquid, it is not sufficient to simply overcome the interparticle binding energies. Instead, more energy must be invested to break up the typical cooperative particle network that is common to glassy materials. The thermal expansion coefficient of the liquid phase reveals similar anomalous behaviour and is universally enhanced by a constant factor of approximately 3. These universalities allow the estimation of glass temperatures from thermal expansion and vice versa. KW - Glass transition KW - Lindemann criterion KW - Thermal expansion KW - Glass PY - 2023 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:b43-570267 SN - 1745-2473 SP - 1 EP - 7 PB - Nature Publishing Group CY - London AN - OPUS4-57026 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Mishurova, Tatiana A1 - Cabeza, Sandra A1 - Thiede, Tobias A1 - Nadammal, Naresh A1 - Kromm, Arne A1 - Klaus, Manuela A1 - Genzel, Christoph A1 - Haberland, Christoph A1 - Bruno, Giovanni T1 - The influence of the support structure on residual stress and distortion in SLM Inconel 718 parts N2 - The effect of support structure and of removal from the base plate on the residual stress state in selective laser melted IN718 parts was studied by means of synchrotron X-ray diffraction. The residual stresses in subsurface region of two elongated prisms in as-built condition and after removal from the base plate were determined. One sample was directly built on a base plate and another one on a support structure. Also, the distortion on the top surface due to stress release was measured by contact profilometry. High tensile residual stress values were found, with pronounced stress gradient along the hatching direction. In the sample on support, stress redistribution took place after removal from the base plate, as opposed to simple stress relaxation for the sample without support. The sample on support structure showed larger distortion compared to sample without support. We conclude that the use of a support decreases stress values but stress-relieving heat treatments are still needed. KW - Additive manufacturing KW - SLM KW - Residual stress KW - Synchrotron X-ray diffraction KW - IN718 PY - 2018 U6 - https://doi.org/10.1007/s11661-018-4653-9 SN - 1073-5623 VL - 49A IS - 7 SP - 3038 EP - 3046 PB - Springer Sciences & Business Media CY - New York, NY AN - OPUS4-45100 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Falk, Florian A1 - Sobol, Oded A1 - Stephan-Scherb, Christiane T1 - The impact of the microstructure of Fe-16Cr-0.2C on high-temperature oxidation – sulphidation in SO2 N2 - This study elucidates the impact of the microstructure of Fe-16Cr-0.2C on oxide layer formation at 650 ◦C in Ar-0.5 % SO2. A cold-rolled and two heat-treated states of the alloy were exposed for up to 1000 h. The samples were characterised in detail from microstructural and chemical perspectives using scanning electron microscopy (SEM), X-ray diffraction (XRD) and time-of-flight secondary ion mass spectrometry (ToF-SIMS). The microstructural modification of the alloy by heat-treatment was advantageous. It was found that Cr-carbides support chromia formation and reduce sulphidation when their area fraction is low and diameter is small. KW - Steel KW - Iron KW - SIMS KW - SEM KW - High temperature corrosion KW - Oxidation KW - Sulphidation PY - 2021 U6 - https://doi.org/10.1016/j.corsci.2021.109618 VL - 190 SP - 109618 PB - Elsevier Ltd. AN - OPUS4-53001 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 U6 - 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 - Marquardt, J. A1 - Gurieva, G. A1 - Stephan-Scherb, Christiane A1 - Schorr, S. T1 - The Effect of Copper Vacancies on the Anion Position of Chalcopyrite Type CuGaS2 N2 - The prediction of structural parameters and optoelectronic properties of compound semiconductors is very important. However, calculations often neglect chemical variability and structural defects. In chalcopyrite type semiconductors one of the major defects are copper vacancies (V Cu). The four cation neighbors of the anion determine its position in the chalcopyrite type structure expressed by the Wyckoff position 8d (x, 1/4, 1/8). Intrinsic point defects like V Cu and anti-sites may cause variations of the Anion position in the middle of the cation tetrahedron, especially in the Anion position Parameter x. For stoichiometric chalcopyrite type compounds a formalism according to the principle of conservation of tetrahedral bonds (CTB) can be applied to calculate the anion position parameter, but it fails in the case of off-stoichiometric chalcopyrites. This case study of chalcopyrite type CuGaS 2 and Mn-substituted GuGaS 2 shows that the experimentally determined anion position Parameter x deviate from values calculated by CTB approach. The systematic investigation of off-stoichiometric CuGaS 2 and Mn-substituted GuGaS 2 demonstrates the effect of copper vacancies on the average radii of the cation sites (Wyckoff positions 4a and 4b) as well as on the anion position Parameter x. By applying an elaborated CTB Approach implementing copper vacancies an agreement between experimental and calculated anion position Parameter x can be obtained. KW - Chalcogenides KW - Neutron diffraction KW - Copper vacancies PY - 2019 U6 - https://doi.org/10.1002/pssa.201800882 VL - 216 IS - 15 SP - 1800882 PB - Wiley AN - OPUS4-47748 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -