TY - CONF A1 - George, Janine T1 - Data-Driven Chemical Understanding with Bonding Analysis N2 - Bonds and local atomic environments are crucial descriptors of material properties. They have been used to create design rules and heuristics and as features in machine learning of materials properties. Implementations and algorithms (e.g., ChemEnv and LobsterEnv) for identifying local atomic environments based on geometrical characteristics and quantum-chemical bonding analysis are nowadays available. Fully automatic workflows and analysis tools have been developed to use quantum-chemical bonding analysis on a large scale. The lecture will demonstrate how our tools, that assess local atomic environments and perform automatic bonding analysis, help to develop new machine learning models and a new intuitive understanding of materials. Furthermore, the general trend toward automation in density functional-based materials science and some of our recent contributions will be discussed. T2 - Otaniemi Center for Atomic-scale Materials Modeling Seminar CY - Aalto, Finland DA - 11.03.2024 KW - Automation KW - Materials Design KW - Bonding Analysis KW - Machine Learning PY - 2024 AN - OPUS4-59671 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - George, Janine T1 - Data-driven chemical understanding with bonding analysis N2 - Bonds and local atomic environments are crucial descriptors of material properties. They have been used to create design rules and heuristics and as features in machine learning of materials properties. Implementations and algorithms (e.g., ChemEnv and LobsterEnv) for identifying local atomic environments based on geometrical characteristics and quantum-chemical bonding analysis are nowadays available. Fully automatic workflows and analysis tools have been developed to use quantum-chemical bonding analysis on a large scale. The lecture will demonstrate how our tools, that assess local atomic environments and perform automatic bonding analysis, help to develop new machine learning models and a new intuitive understanding of materials.[5,6] Furthermore, the general trend toward automation in density functional-based materials science and some of our recent contributions will be discussed. T2 - Seminar of the Department of Chemistry at Imperial College London CY - Online meeting DA - 20.02.2024 KW - Automation KW - Magnetism KW - Bonding Analysis KW - Machine Learning PY - 2024 AN - OPUS4-59546 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Unger, Jörg F. T1 - Coupling of structural and material design N2 - The presentations discusses a use case for the optimization of concrete structures where structural and material design are integrated in a computational workflow. The workflow is based on both physics-based and data-based models and experimental data is used to calibrate/train these models with a specific focus on the integration of ucertainties. T2 - 2nd Technical Meeting of TG.SAG.2 CY - Hannover, Germany DA - 16.04.2024 KW - Coupling of structural and material design KW - Cement Hydration Model PY - 2024 AN - OPUS4-59999 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Falkenhagen, Jana A1 - Weidner, Steffen A1 - Epping, Ruben T1 - Coupling of chromatographic and spectrometric techniques for polymer characterization N2 - Coupling of chromatographic and spectrometric techniques for polymer characterization; focus topics: LCxMALDI-TOF-MS and UPLC x ESI-TOF-MS T2 - 16. Tagung des Arbeitskreises Polymeranalytik CY - Online meeting DA - 22.03.2022 KW - Liquid chromatography KW - Mass spectrometry KW - Polymers KW - Two-dimensional chromatography (2D-LC) PY - 2022 AN - OPUS4-54567 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Kromm, Arne A1 - Wandtke, Karsten A1 - Shabdali, Gundappa Ashwit A1 - Schröpfer, Dirk A1 - Kannengießer, Thomas A1 - Scharf-Wildenhain, R. A1 - Hälsig, A. A1 - Hensel, J. T1 - Comparison and capabilities of different Methods N2 - X-ray and Neutron diffraction as well as the contour method were used to determine residual stresses in a additively manufactured sample. The results are compared. Capabilites and limitations are shown. T2 - European Conference on Residual Stresses 11 - Tutorial 1: Residual stresses in additive manufacturing CY - Prague, Czech Republic DA - 03.06.2024 KW - Residual stress KW - X-ray diffraction KW - Neutron diffraction KW - Contour method PY - 2024 AN - OPUS4-60286 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Schlegel, Moritz-Caspar T1 - Circular Economy in der EU - ein neues Verständnis für Produkteffizienz, die EN4555x-Reihe und weitere Beipiele N2 - Übersicht über die Umsetzung des EU Green New Deal, des Circular Economy Action Plan sowie der Sustainable Product Initiative. Ebenfalls erfolgt eine Zusammenfassung der Auswirkungen der Änderungen im EU-Produktrecht auf die Revision des geltenden Rechts und das Zusammenspiel zwischen Rechtssetzung und Normung. T2 - Besuch des Bachelorstudiengangs im Fachbereich Material Knowledge der Fachhochschule Potsdam CY - Berlin, Germany DA - 28.05.2024 KW - Circular Economy KW - ESPR KW - Material efficiency KW - Normung KW - Policy making KW - Labelling PY - 2024 AN - OPUS4-60407 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Schlegel, Moritz-Caspar T1 - Circular Economy bei der BAM - neu und etabliert zugleich N2 - Übersicht über BAM-Aktivitäten, die ebenfalls der BAM zugeordnet werden können, der Gründung des Aktivitätsfeldes Circular Economy innerhalb der BAM sowie die zukünftige Ausrichtung und Aktivitäten der BAM zu Themen der Circular Economy. T2 - Besuch des Bachelorstudiengangs im Fachbereich Material Knowledge der Fachhochschule Potsdam CY - Berlin, Germany DA - 28.05.2024 KW - Circular Economy PY - 2024 AN - OPUS4-60410 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Hofmann-Böllinghaus, Anja T1 - Challenges in fire safety of facades N2 - To ensure fire safety of facades will keep being a challenge as facade systems change much quicker than building regulations. Fire spread in one key issue of fire safety in facades. But falling parts, smouldering, smoke and secondary openings are issues as well. T2 - The 4th International Symposium on Fire Safety of Facades FSF 2024 CY - Lund, Sweden DA - 10.06.2024 KW - Facade systems KW - Fire testing KW - Assessement method PY - 2024 AN - OPUS4-60250 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Kromm, Arne A1 - Wandtke, Karsten A1 - Engelking, Lorenz A1 - Schröpfer, Dirk A1 - Kannengießer, Thomas A1 - Scharf-Wildenhain, R. A1 - Hälsig, A. A1 - Hensel, J. T1 - Case Studies 2 – RS in DED-arc AM Components N2 - The presentation shows examples of resdiual stresses to be found typically in DED-arc additively manufactured high strength steel components. T2 - European Conference on Residual Stresses 11 - Tutorial 1: Residual stresses in additive manufacturing CY - Prague, Czech Republic DA - 03.06.2024 KW - Residual stress KW - DED-arc KW - High strength steel PY - 2024 AN - OPUS4-60285 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Falkenhagen, Jana T1 - Biobased and biogegradable polymers: Analytical challenges N2 - The variability and heterogeneity in their structural composition is significant for nearly all synthetic and natural polymers. Beside molar mass also functionality type distribution, copolymer composition distribution and architectural features are responsible for changing the material properties. A wide range of analytical techniques are available to get insight into these parameters. However, in most cases it is essential to combine different sophisticated techniques to get closer to actual structures and to avoid statistical averages. Different liquid chromatographic separation modes and their coupling in a two-dimensional way (SEC, LCCC, HILIC, 2D-LC) in combination with suitable detection techniques (e.g. UV, RI, LS, IR, MALDI/ESI-MS) as well as techniques like BET, DCS, SEM/TEM were applied to make structural features visible. A few aspects are discussed for structural different polylactides from various synthesis routes and their behavior in LC-MS. Moreover, some analytical results for technical lignins valorized by mechanochemical treatment or modified by functional polymers are presented. T2 - 10th Intern. Symp. on the Separation and Characterisation of Natural and Synthetic Macromolecules (SCM-10) CY - Amsterdam, Netherlands DA - 01.02.2023 KW - Poly(lactides) KW - Technical lignin PY - 2023 AN - OPUS4-57002 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -