TY - CONF A1 - Suárez Ocano, Patricia A1 - Fries, S. G. A1 - Agudo Jácome, Leonardo T1 - Thermodynamic study of a refractory complex concentrated alloy (rCCA) using the CALPHAD method N2 - Multi-principal-element alloys (MPEAs), have recently come to the attention of the scientific community due to their potential for improving properties such as, e.g. mechanical strength and oxidation resistance in high temperature structural applications. The AlMo0.5NbTa0.5TiZr refractory (r)CCA is one such candidate, showing a two-phase microstructure after a two-stage heat treatment under argon atmosphere at a controlled cooling rate. Since the application conditions intended for this alloy require a long-term high temperature (> 700 °C) mechanical and oxidation resistance, it becomes necessary to assess the possible phase development in this regime. The diagrams reveal that two BCC-based phases could form during alloy solidification, where one phase would be enriched with Mo, Nb and Ta while the other phase, with Al, Ti and Zr. Activity oxides diagrams show that a stable form of aluminum oxide (α-Al2O3, Pearson symbol: hR10, corundum) can be formed. T2 - EUROMAT 2019 CY - Stockholm, Sweden DA - 01.09.2019 KW - Chemically Complex Alloy KW - CALPHAD KW - Electromicroscopy PY - 2019 AN - OPUS4-50730 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Suárez Ocano, Patricia A1 - Fries, S. A1 - Agudo Jácome, Leonardo T1 - Thermodynamic study of a refractory complex concentrated alloy using the CALPHAD method N2 - Introduction/purpose: Multi-principal-element alloys (MPEAs), also known as complex concentrated alloys (CCAs), have recently come to the attention of the scientific community due to some interesting and unexpected microstructures, and their potential for improving properties such as, e.g. mechanical strength and oxidation resistance in high temperature structural applications. The AlMo0.5NbTa0.5TiZr refractory (r)CCA is one such candidate, showing a two-phase microstructure after a two-stage heat treatment under argon atmosphere at a controlled cooling rate. Since the application conditions intended for this alloy require a long-term high temperature (> 700 °C) mechanical and oxidation resistance, it becomes necessary to assess the possible phase development in this regime. Methods: In this contribution, the CALPHAD method is used to calculate phase equilibria for the AlMo0.5NbTa0.5TiZr CCA in the presence and absence of oxygen. Equilibrium phase amount evolution with temperature and Scheil Model for solidification (e.g. Fig.1a and Fig.1b, respectively) are analyzed, which are obtained using the databases TCNI9 and TTNI7 and the Gibbs energy minimizer in the Thermo-Calc software. Results: The diagrams reveal that two BCC-based phases could form during alloy solidification, where one phase would be enriched with Mo, Nb and Ta while the other phase, with Al, Ti and Zr. Activity oxides diagrams show that a stable form of aluminum oxide (α-Al2O3, Pearson symbol: hR10, corundum) can be formed. Results obtained by both databases, as well as discrepancies between property phase and Scheil approaches are discussed on the base of experimental results. Conclusions: A modeling tool is used to support alloy characterization and development, providing also the possibility to feedback information to improve existing thermodynamic databases. T2 - EUROMAT 2019 CY - Stockholm, Sweden DA - 01.09.2019 KW - CALPHAD databases analysis KW - Thermodynamic analysis KW - Complex concentrated alloy (CCA) PY - 2019 AN - OPUS4-49345 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Piechotta, Christian A1 - Goedecke, Caroline A1 - Sojref, Regine T1 - Transformation of the antidiabetic drug metformin N2 - For years there have been more and more reports on the presence of drugs in the aquatic environment. Due to the demographic change, the consumption of pharmaceuticals has risen sharply. After taking the drugs, they are partly metabolized in the human body. However, the metabolism is not complete so that both the metabolites and non-metabolized amounts of the parent compounds are excreted. These compounds reach the waste water and afterwards the sewage treatment plants. In sewage treatment plants transformation products can be formed by the oxidative conditions during wastewater treatment processes. The transformation products may have a higher toxicity than the actual environmental pollutants and are often only partly removed during the waste water treatment. Since a lot of these compounds are still unknown, the transformation products are not detected by target analysis used in sewage treatment plants and are often released undetected in the aquatic ecosystems. The released substances may be subject to additional transformation processes in the environment. Pharmaceuticals produced in high amounts can be already detected in the μg/L range in water bodies worldwide. Metformin and its major transformation product guanylurea are one of the main representatives. Metformin is the drug of choice for treating type 2 diabetes. The drug therapy for diabetes mellitus has increased significantly in recent years. In the year 2015 1500 tons of metformin were prescribed in Germany (for statutory insured persons). Metformin is not metabolized in the human body and is excreted unchanged therefore concentrations between 57 μg/L and 129 μg/L are found in German waste water treatment plants influents. In this work the transformation of the antidiabetic drug metformin is investigated. The degradation of metformin is initialize by commercial water treatment techniques like UV-radiation or noncommercial techniques like heterogenous photocatalysis based on titanium dioxide. The degradation of metformin and resulting transformation products are analyzed by LC-MS/MS and LC-HRMS. T2 - SPEA 10 CY - Almeria, Spain DA - 04.06.2018 KW - Metformin KW - Photocatalysis PY - 2018 AN - OPUS4-47030 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Charmi, Amir A1 - Falkenberg, Rainer A1 - Skrotzki, Birgit T1 - Virtual-lab-based determination of a macroscopic yield function for additively manufactured parts N2 - This work aims for a yield function description of additively manufactured parts of S316L steel at the continuum-mechanical macro-scale by means of so-called virtual experiments using a crystal plasticity (CP) model at meso-scale. Additively manufactured parts require the consideration of the specific process-related microstructure, which prevents this material to be macroscopically treated as isotropic, because of crystallographic as well as topological textures. From virtual experiments, yield loci under various loading conditions are simulated. The scale bridging from meso- to macro-scale is realised by the identification of the simulated yield loci as a modified anisotropic Barlat-type yield model representation. T2 - Workshop on Additive Manufacturing, BAM CY - Berlin, Germany DA - 13.05.2019 KW - Virtual experiments KW - Additive manufacturing KW - Anisotropy KW - Crystal plasticity KW - Scale-bridging PY - 2019 AN - OPUS4-48064 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Kupsch, Andreas A1 - Erdmann, Maren A1 - Müller, Bernd R. A1 - Hentschel, M.P. A1 - Niebergall, Ute A1 - Böhning, Martin A1 - Bruno, Giovanni T1 - Warum wird zugbelastetes HD-Polyethylen in Dieselumgebung transparent? N2 - Behälter aus hochdichtem Polyethylen (PE-HD) werden zur Lagerung und für den Transport von Kraftstoffen eingesetzt. Beim Kontakt beider Medien diffundiert der Kraftstoff in das Polymer, erhöht dessen Volumen und Duktilität und ändert damit das Fließverhalten des Polymers unter Zugbelastung. Zudem weist PE-HD in Luft im verstreckten Bereich das sogenannte strain-whitening (Lichtstreuung) auf, während in Diesel gelagertes PE-HD optisch transparent wird. Zur Untersuchung dieses Phänomens wurden ortsaufgelöste Röntgenrefraktion und –diffraktion (Topographie) eingesetzt. Aus Sicht der molekularen Struktur (Diffraktion) weisen die beiden Probentypen keine Unterschiede auf: im verstreckten Bereich liegt eine „Fasertextur“ der Polymerketten in Belastungsrichtung vor, im unverstreckten Bereich nahezu ideale Isotropie. Die für mikroskopische Strukturen empfindliche Röntgenrefraktion zeigt außerdem für die Probe in Luft im verstreckten Bereich eine ausgeprägte Orientierung von Grenzflächen in Zugrichtung, während die in Diesel gelagerte Probe keine Grenzflächen zeigt. In Analogie zum optischen Verhalten bewirken die ähnlichen Brechungsindizes beider Medien im Röntgenbereich, dass eindiffundierter Diesel als Immersionsflüssigkeit die Brechungseigenschaften herabsetzt. T2 - DACH-Jahrestagung 2019 CY - Friedrichshafen, Germany DA - 27.05.2019 KW - Diesel KW - HDPE Sorption KW - Röntgenrefraktion KW - Röntgenbeugung KW - Mikrostruktur KW - Kavitation PY - 2019 AN - OPUS4-48311 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Behrens, H. A1 - Balzer, R. A1 - Dietrich, U. A1 - Fechtelkord, M. A1 - Müller, Ralf A1 - Deubener, J. T1 - Water in oxide glasses: from borosilicates to silicoborates N2 - In this poster, results are presented on the influence of water incorporation on the structure of B2O3 and SiO2 containing oxide glasses, which were found during the joint project at the locations Hanover, Clausthal and Berlin within the priority program SPP1594. T2 - 9th Otto Schott Colloquium CY - Jena, Germany DA - 09.09.2019 KW - IR KW - Glass KW - Water content KW - NMR PY - 2019 AN - OPUS4-50465 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -