TY - INPR A1 - Zimmermann, Yoel A1 - Bazgir, Adib A1 - Al-Feghali, Alexander A1 - Ansari, Mehrad A1 - Bocarsly, Joshua A1 - Brinson, L. Catherine A1 - Chiang, Yuan A1 - Circi, Defne A1 - Chiu, Min-Hsueh A1 - Daelman, Nathan A1 - Evans, Matthew L. A1 - Gangan, Abhijeet S. A1 - George, Janine A1 - Harb, Hassan A1 - Khalighinejad, Ghazal A1 - Khan, Sartaaj Takrim A1 - Klawohn, Sascha A1 - Lederbauer, Magdalena A1 - Mahjoubi, Soroush A1 - Mohr, Bernadette A1 - Moosavi, Seyed Mohamad A1 - Naik, Aakash A1 - Ozhan, Aleyna Beste A1 - Plessers, Dieter A1 - Roy, Aritra A1 - Schöppach, Fabian A1 - Schwaller, Philippe A1 - Terboven, Carla A1 - Ueltzen, Katharina A1 - Wu, Yue A1 - Zhu, Shang A1 - Janssen, Jan A1 - Li, Calvin A1 - Foster, Ian A1 - Blaiszik, Ben T1 - 34 Examples of LLM Applications in Materials Science and Chemistry: Towards Automation, Assistants, Agents, and Accelerated Scientific Discovery N2 - Large Language Models (LLMs) are reshaping many aspects of materials science and chemistry research, enabling advances in molecular property prediction, materials design, scientific automation, knowledge extraction, and more. Recent developments demonstrate that the latest class of models are able to integrate structured and unstructured data, assist in hypothesis generation, and streamline research workflows. To explore the frontier of LLM capabilities across the research lifecycle, we review applications of LLMs through 34 total projects developed during the second annual Large Language Model Hackathon for Applications in Materials Science and Chemistry, a global hybrid event. These projects spanned seven key research areas: (1) molecular and material property prediction, (2) molecular and material design, (3) automation and novel interfaces, (4) scientific communication and education, (5) research data management and automation, (6) hypothesis generation and evaluation, and (7) knowledge extraction and reasoning from the scientific literature. Collectively, these applications illustrate how LLMs serve as versatile predictive models, platforms for rapid prototyping of domain-specific tools, and much more. In particular, improvements in both open source and proprietary LLM performance through the addition of reasoning, additional training data, and new techniques have expanded effectiveness, particularly in low-data environments and interdisciplinary research. As LLMs continue to improve, their integration into scientific workflows presents both new opportunities and new challenges, requiring ongoing exploration, continued refinement, and further research to address reliability, interpretability, and reproducibility. KW - Automation KW - LLM KW - Machine Learning KW - Agent KW - Bonding Analysis KW - Materials Searches KW - Finetuning PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-631720 DO - https://doi.org/10.48550/arXiv.2505.03049 SP - 1 EP - 33 AN - OPUS4-63172 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 - Zorn, R. A1 - Lohstroh, W. A1 - Zamponi, M. A1 - Harrison, W. A1 - Budd, P. A1 - Böhning, Martin A1 - Schönhals, Andreas T1 - Molecular mobility of a polymer of intrinsic microporosity revealed by quasielastic neutron scattering N2 - Quasielastic neutron scattering by employing a combination of time-of-flight and backscattering techniques is carried out to explore the molecular mobility of a polymer of intrinsic microporosity (PIM-1) at microscopic time scales in comparison with a high-performance polyimide. Molecular fluctuations can change the structure of the temporary network of micropores and open or close pathways for gas molecules. Therefore, the investigation might help to understand the selectivity of PIMs in gas separation processes. The performed neutron scattering experiments provide evidence for a low-temperature relaxation process, which was assigned to methyl group rotation. This methyl group rotation was analyzed in terms of jump diffusion in a three-fold potential. The analysis results in a fraction of methyl groups which are immobilized. For PIM-1 it was found that the fraction of immobilized methyl groups decreases with increasing temperature up to 350 K. At higher temperatures the number of immobilized methyl group increases gain due to an underlying relaxation process. This motional process on a somewhat larger length scale might lead to a reversible structural rearrangement which partially hinders the strongly localized methyl group rotation. In addition, it was found that the activation energy for the methyl group rotation for PIM-1 and the polyimide is significantly higher than for conventional polymers. KW - Polymer of intrinsic microporosity KW - Quasielastic neutron scattering PY - 2020 DO - https://doi.org/10.1021/acs.macromol.0c00963 SN - 0024-9297 SN - 1520-5835 VL - 53 IS - 15 SP - 6731 EP - 6739 PB - American Chemical Society CY - Washington, DC AN - OPUS4-51147 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Zorn, R. A1 - Szymoniak, Paulina A1 - Kolmangadi, Mohamed Aejaz A1 - Malpass-Evans, R. A1 - McKeown, N. A1 - Jalarvo, N. A1 - Tyagi, M. A1 - Böhning, Martin A1 - Schönhals, Andreas T1 - Microscopic molecular mobility of high-performance polymers of intrinsic microporosity revealed by neutron scattering – bend fluctuations and signature of methyl group rotation N2 - Polymers of intrinsic microporosity exhibit a combination of high gas permeability and reasonable permselectivity, which makes them attractive candidates for gas separation membrane materials. The diffusional selective gas transport properties are connected to the molecular mobility of these polymers in the condensed state. Incoherent quasielastic neutron scattering was carried out on two polymers of intrinsic microporosity, PIM-EA-TB(CH3) and its demethylated counterpart PIM-EA-TB(H2), which have high Brunauer–Emmett–Teller surface area values of 1030 m2 g-1 and 836 m2 g-1, respectively. As these two polymers only differ in the presence of two methyl groups at the ethanoanthracene unit, the effect of methyl group rotation can be investigated solely. To cover a broad dynamic range, neutron time-of-flight was combined with neutron backscattering. The demethylated PIM-EA-TB(H2) exhibits a relaxation process with a weak intensity at short times. As the backbone is rigid and stiff this process was assigned to bendand-flex fluctuations. This process was also observed for the PIM-EA-TB(CH3). A further relaxation process is found for PIM-EA-TB(CH3), which is the methyl group rotation. It was analyzed by a jump-diffusion in a three-fold potential considering also the fact that only a fraction of the present hydrogens in PIM-EATB(CH3) participate in the methyl group rotation. This analysis can quantitatively describe the q dependence of the elastic incoherent structure factor. Furthermore, a relaxation time for the methyl group rotation can be extracted. A high activation energy of 35 kJ mol-1 was deduced. This high activation energy evidences a strong hindrance of the methyl group rotation in the bridged PIM-EA-TB(CH3) structure. KW - Polymers of Intrinsic Microporosity KW - Neutron Scattering PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-604114 DO - https://doi.org/10.1039/d4sm00520a SP - 1 EP - 11 PB - RSC AN - OPUS4-60411 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Zorn, R. A1 - Szymoniak, Paulina A1 - Kolmangadi, Mohamed Aejaz A1 - Malpass-Evans, R. A1 - McKeown, N. A1 - Tyagi, M. A1 - Böhning, Martin A1 - Schönhals, Andreas T1 - Low frequency vibrations and diffusion in disordered polymers bearing an intrinsic microporosity as revealed by neutron scattering N2 - The microscopic diffusion and the low frequency density of states (VDOS) of PIM-EATB(CH3) are investigated by inelastic and quasi-elastic neutron scattering where also the demethylated counterpart of PIM-EA-TB(H2) is considered. These intrinsic microporous polymers are characterized by large BET surface area values of several hundred m2/g and pore sizes between 0.5 and 2 nm. Detailed comparison is made to the archetype of polymers of intrinsic microporosity, PIM-1, and polynorbornenes also bearing a microporosity. Due to the wavelength of neutrons, the diffusion and vibrations can be addressed on microscopic length and time scales. From the inelastic neutron scattering experiments the low frequency density of states (VDOS) is estimated which shows excess contributions to the Debye-type VDOS known as Boson peak. It was found that the maximum frequency of the Boson peak decreases with increasing microporosity characterized by the BET surface area. However, besides the BET surface area, additional factors such as the backbone stiffness govern the maximum frequency of the Boson peak. Further the mean squared displacement related to microscopic motions was estimated from elastic fixed window scans. At temperatures above 175 K, the mean squared displacement PIM-EA-TB(CH3) is higher than that for the demethylated counterpart PIM-EA-TB(H2). The additional contribution found for PIM-EATB(CH3) is ascribed to the rotation of the methyl group in this polymer because the only difference between the two structures is that PIM-EA-TB(CH3) has methyl groups where PIM-EA-TB(H2) has none. A detailed comparison of the molecular dynamics is also made to that of PIM-1 and the microporous polynorbornene PTCNSi1. The manuscript focuses on the importance of vibrations and the localized molecular mobility characterized by the microscopic diffusion on the gas Transport in polymeric separation membranes. In the frame of the random gate model localized fluctuations can open or close bottlenecks between pores to enable the diffusion of gas molecules. KW - Polymer of intrisic microporosity KW - Neutron scattering KW - Boson peak KW - Methyl group rotation PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-538490 DO - https://doi.org/10.3390/cryst11121482 VL - 11 IS - 12 SP - 1 EP - 16 PB - MDPI CY - Basel AN - OPUS4-53849 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Zorn, R. A1 - Szymoniak, Paulina A1 - Kolmangadi, Mohamed Aejaz A1 - Wolf, M. A1 - Alentiev, D. A1 - Bermeshev, M. A1 - Böhning, Martin A1 - Schönhals, Andreas T1 - Low frequency vibrational density of state of highly permeable super glassy polynorbornenes – The Boson peak N2 - Inelastic incoherent neutron time-of flight scattering was employed to measure the low frequency density of states for a series of addition polynorbornenes with bulky side groups. The rigid main chain in combination with the bulky side groups give rise to a microporosity of these polymers in the solid state. The microporosity characterized by the BET surfaces area varies systematically in the considered series. Such materials have some possible application as active separation layer in gas separation membranes. All investigated materials show excess contributions to the Debye type density of states characteristic for glasses known as Boson peak. The maximum position of the Boson peak shifts to lower frequency values with increasing microporosity. Data for PIM-1 and Matrimid included for comparison are in good agreement to this dependency. This result supports the sound wave interpretation of the Boson peak. KW - Polynorbornes KW - Neutron Scattering PY - 2020 DO - https://doi.org/10.1039/d0cp03360j SN - 1463-9076 VL - 22 IS - 33 SP - 18381 EP - 18387 PB - Royal Chemical Society AN - OPUS4-51165 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Zosef, M. A1 - Fahmy, Alaa A1 - El Hotaby, W. A1 - Hassan, A. A1 - Khalil, A. A1 - Anis, B. T1 - High performance graphene-based PVF foam for lead removal from water N2 - The synthesis and optimization of superior and eco-friendly sorbents for Pb(II) pose a great challenge in the field of water treatment. The sorbent was developed by introducing graphene oxide (GO) into the matrix of polyvinyl formaldehyde (PVF) foam. The immobilization of GO in PVF results in significant increase in the maximum adsorption capacity (Qt) of GO powder for Pb(II), from ≈800 to ≈1730 mg g−1 in the case of GO/PVF foam. As compared with GO powder in Pb(II) aqueous solutions, PVF matrix keeps GO sheets stable without any agglomeration. The large surface area of GO sheet allows the abundant oxygenated functional groups on its surface to participate effectively in the Pb(II) adsorption process, leading to the huge increase of the Qt. Adsorption isotherms and kinetic studies indicated that the sorption process of Pb(II) on GO/PVF was done on heterogenous surface by ion-exchange reaction. The GO/PVF foam showed an excellent reusability for more than 10 cycles with almost the same efficiency and without any significant change in its physical properties. KW - Water treatment KW - Graphene oxide KW - Lead ions KW - Polyvinyl formaldehyde foam KW - Superior sorbent PY - 2020 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-523013 DO - https://doi.org/10.1016/j.jmrt.2020.08.011 VL - 9 IS - 5 SP - 11861 EP - 11875 PB - Elsevier B.V. AN - OPUS4-52301 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Zou, T. A1 - Nonappa, N. A1 - Khavani, M. A1 - Vuorte, M. A1 - Penttilä, P. A1 - Zitting, A. A1 - Valle-Delgado, J. J. A1 - Elert, Anna Maria A1 - Silbernagl, Dorothee A1 - Balakshin, M. A1 - Sammalkorpi, M. A1 - Österberg, M. T1 - Experimental and Simulation Study of the Solvent Effects on the Intrinsic Properties of Spherical Lignin Nanoparticles N2 - Spherical lignin nanoparticles (LNPs) fabricated via nanoprecipitation of dissolved lignin are among the most attractive biomass-derived nanomaterials. Despite various studies exploring the methods to improve the uniformity of LNPs or seeking more application opportunities for LNPs, little attention has been given to the fundamental aspects of the solvent effects on the intrinsic properties of LNPs. In this study, we employed a variety of experimental techniques and molecular dynamics (MD) simulations to investigate the solvent effects on the intrinsic properties of LNPs. The LNPs were prepared from softwood Kraft lignin (SKL) using the binary solvents of aqueous acetone or aqueous tetrahydrofuran (THF) via nanoprecipitation. The internal morphology, porosity, and mechanical properties of the LNPs were analyzed with electron tomography (ET), small-angle X-ray scattering (SAXS), atomic force microscopy (AFM), and intermodulation AFM (ImAFM). We found that aqueous acetone resulted in smaller LNPs with higher uniformity compared to aqueous THF, mainly ascribing to stronger solvent−lignin interactions as suggested by MD simulation results and confirmed with aqueous 1,4-dioxane (DXN) and aqueous dimethyl sulfoxide (DMSO). More importantly, we report that both LNPs were compact particles with relatively homogeneous density distribution and very low porosity in the internal structure. The stiffness of the particles was independent of the size, and the Young’s modulus was in the range of 0.3−4 GPa. Overall, the fundamental understandings of LNPs gained in this study are essential for the design of LNPs with optimal performance in applications. KW - Lignin KW - Electron tomography KW - Intermodulation AFM KW - Modulus KW - SAXS PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-546948 DO - https://doi.org/10.1021/acs.jpcb.1c05319 SN - 1520-5207 VL - 125 IS - 44 SP - 12315 EP - 12328 PB - ACS AN - OPUS4-54694 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Zubia Aranburu, Judith A1 - Cappella, Brunero A1 - Zabala Eguren, A. A1 - Buruaga Lamarain, L. A1 - Aginagalde Lopez, A. A1 - Bonse, Jörn A1 - Schwibbert, Karin T1 - Quantification of the adhesion force of E. coli on Ti via single-cell force spectroscopy N2 - Antibiotic resistance is a growing global problem which poses a massive threat to human health. Although human activity contributes to the acceleration of the process, bacteria have a self-driven stabilisation mechanism to protect themselves from such and other external threats: biofilm formation. Nonetheless, it is the adhesion of a single bacterial cell to a surface that triggers the formation of such network of biomolecules and microorganisms, as well as its hazardous consequences. The main objective of this work was to quantify the adhesion force of a single E. coli cell on a Ti substrate via the AFM-related single-cell force spectroscopy, with both the cell and the substrate material being of high clinical relevance. A set of 25 x 25 force displacement curves was acquired with a maximum force of 3.2 nN without dwell time, yielding a topography map and an adhesion force map that showed to be correlated. A mean adhesion force of 0.85 ± 0.175 nN was measured and the presence of cell appendages on the bacterial cell wall was verified through individual force-displacement curves. Bacterial viability was assessed after the measurements via live/dead staining. T2 - XL Congreso Anual de la Sociedad Española de Ingeniería Biomédica CASEIB 2022 CY - Valladolid, Spain DA - 23.11.2022 KW - Bacteria KW - Atomic force microscopy KW - Force distance curve PY - 2022 SN - 978-84-09-45972-8 SP - 217 EP - 220 AN - OPUS4-57039 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Zuffa, Caterina A1 - Cappuccino, Chiara A1 - Casali, Lucia A1 - Emmerling, Franziska A1 - Maini, Lucia T1 - Liquid reagents are not enough for liquid assisted grinding in the synthesis of [(AgBr)(n-pica)]n N2 - This study investigates the mechanochemical reactions between AgBr 3-picolylamine and 4-picolylamine. The use of different stoichiometry ratios of the reagents allows [(AgBr)(n-pica)]n and [(AgBr)2(n-pica)]n to be obtained, and we report the new structures of [(AgBr)2(3-pica)]n and [(AgBr)2(4-pica)]n which are characterized by the presence of the following: (a) infinite inorganic chains, (b) silver atom coordinated only by bromide atoms and (c) argentophilic interactions. Furthermore, we studied the interconversion of [(AgBr)(n-pica)]n/[(AgBr)2(n-pica)]n by mechanochemical and thermal properties. The in situ experiments suggest that [(AgBr)(3-pica)]n is kinetically favoured while [(AgBr)2(3-pica)]n is converted into [(AgBr)(3-pica)]n only with a high excess of the ligand. Finally, the liquid nature of the ligands is not sufficient to assist the grinding process, and the complete reaction is observed with the addition of a small quantity of acetonitrile. KW - Mechanochemistry KW - Complex PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-594755 DO - https://doi.org/10.1039/d3cp04791a SN - 1463-9076 SP - 1 EP - 10 PB - Royal Society of Chemistry (RSC) AN - OPUS4-59475 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Zutta Villate, J. M. A1 - Viviana Rojas, J. A1 - Hahn, Marc Benjamin A1 - Anselmo Puerta, J. T1 - Synthesis of 198Au nanoparticles sub 10 nm due optimization on local dose by Monte Carlo simulations for cancer treatment N2 - To enhance the biological effects of radiation damage in cancerous cells, we present an alternative approach to the use of gold nanoparticles (AuNP), focusing on the synthesis and characterization of highly monodisperse, spherical radioactive gold nanoparticles 198AuNP. The size of the AuNP size was optimized with the help of Geant4/TOPAS particle scattering simulations, and energy deposition per nm3 per decay for varying radii (2–10 nm) was evaluated. This work is the foundation for ongoing experimental work to evaluate cell death induced by 198AuNP which aims for the use of radioactive gold nanoparticles in cancer treatment. KW - AuNP KW - Beta decay KW - Beta particle KW - Brachytherapy KW - Cancer treatment KW - Nanoparticles KW - Nanoparticle KW - DNA KW - DNA damage KW - Dosimetry KW - Energy deposit KW - Gamma ray KW - Geant4 KW - Geant4-DNA KW - Gold Nanoparticles KW - LEE KW - Low energy electrons KW - MCS KW - Microdosimetry KW - Monte-Carlo simulation KW - NP KW - Synthesis KW - TEM KW - OH radicals KW - Particle scattering KW - Radiation damage KW - Radiationtherapy KW - Radioactive decay KW - Radiolysis KW - Simulation KW - TOPAS KW - TOPAS-nbio PY - 2022 DO - https://doi.org/10.1007/s10967-022-08355-5 SN - 1588-2780 SP - 1 EP - 9 PB - Springer Nature AN - OPUS4-55132 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Zvereva, V.V. A1 - Asanov, I.P. A1 - Yusenko, Kirill A1 - Zadesenec, A.V. A1 - Plyusnin, P.E. A1 - Gerasimov, E.Yu. A1 - Maksimovskiy, E.A. A1 - Korenev, S.V. A1 - Asanova, T.I. T1 - Local atomic and electronic structure of Pt‑Os nanoplates and nanofbers derived from the single‑source precursor (NH4)2[Pt0.5Os0.5Cl6] N2 - Abstract Nowadays, Pt-Os binary systems are mainly considered as catalysts and electrocatalysts, but the role of Os in these processes is still poorly understood. The electronic structure of Pt-Os nanosystems remains a few studied as well. Using bimetallic (NH4)2[Pt0.5Os0.5Cl6] as a single-source precursor for preparing Pt-Os nanoalloy through the thermal decomposition in hydrogen and inert atmospheres, the relation of morphology, atomic ordering, and electronic structure of Pt-Os nanoalloy was examined by in situ Quick XAFS, XPS, PXRD, SEM, and HRTEM techniques. Being the only variable parameter, the decomposition atmosphere was found to govern the morphology of the Pt-Os nanoalloy and change the atomic ordering (alloying extent), which involves a change in the electronic structure. In a hydrogen atmosphere, the nanofibers (NFs) (ø ~ 5–6 nm) with the atomic ordering Oscore&Pt-richshell were observed to form; in a nitrogen atmosphere, thin nanoplates (NPLs) (~ 12 nm) with the atomic architecture Os-richcore&Ptrichshell were found out. The depletion in the Os 5d5/2 and Pt 5d5/2,3/2 states was revealed for Pt-Os nanoalloys. This unusual result disagrees with the known d-band theory and indicates that there is a gain of non-d conduction electron counts at one or both sites. Mixed conductivity may exist in such Pt-Os nanoalloy that may be responsible for a manifestation of new physical properties of this binary system . KW - Bimetallic alloy KW - Nanoalloy KW - Synchrotron radiation KW - XAFS KW - Electronic structure KW - Alloy morphology PY - 2021 DO - https://doi.org/10.1007/s11051-021-05378-z SN - 1388-0764 VL - 24 IS - 1 SP - 1 EP - 23 PB - Springer AN - OPUS4-55347 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Zänker, Steffen A1 - Scholz, G. A1 - Heise, M. A1 - Kemnitz, E. A1 - Emmerling, Franziska T1 - New 2D layered structures with direct fluorine-metal bonds: MF(CH3COO) (M: Sr, Ba, Pb) N2 - New coordination polymers with 2D network structures with fluorine directly coordinated to the metal ion were prepared both via mechanochemical synthesis and fluorolytic sol–gel synthesis. Depending on the synthesis route, the samples show different particle sizes, according to SEM imaging. The crystal structures of barium acetate fluoride, strontium acetate fluoride, and lead acetate fluoride (BaFIJCH3COO), SrFIJCH3COO) and PbFIJCH3COO)) were solved from X-ray powder diffraction data. The structure solution is backed by the results from 19F MAS NMR, FT IR data, and thermal analysis. The calculated chemical shifts of the 19F MAS NMR spectra coincide well with the measured ones. It turns out that the grinding conditions have a remarkable influence on the mechanochemical synthesis and its products. Our systematic study also indicates a strong influence of the atomic radii of Ca, Sr, Ba, and Pb on the success of the syntheses. KW - Mechanochemistry KW - Coordination polymers PY - 2020 DO - https://doi.org/10.1039/d0ce00287a VL - 22 IS - 16 SP - 2772 EP - 2780 PB - Royal Society of Chemistry AN - OPUS4-50789 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Zänker, Steffen A1 - Scholz, G. A1 - Marquardt, Julien A1 - Emmerling, Franziska T1 - Structural changes in Ba-compounds of different hardness induced by high-energy ball milling – evidenced by 137Ba NMR and X-ray powder diffraction N2 - Changes in the global bulk and local structures, of three different barium compounds (BaZrO3, BaF2, and BaFCl),were induced by mechanical milling and followed using X-ray powder diffraction (PXRD), subsequent microstructure analysis, and 137Ba solid state NMR spectroscopy. Harder materials like BaZrO3 experience significantly higher structural changes upon milling than softer materials like BaF2. Moreover, soft materials with layered structures, like BaFCl, show a pronounced structural change during the milling process. By combining PXRD and solid state NMR, detailed information on the changes to the global and local structures were obtained, which are of interest for mechanochemical synthesis, mechanically treated catalysts or ionic conductors. KW - Mechanochemistry KW - X-ray diffraction KW - Solid state NMR PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-547397 DO - https://doi.org/10.1002/zaac.202200026 SN - 0044-2313 VL - 648 IS - 10 SP - 1 EP - 8 PB - Wiley-VCH CY - Weinheim AN - OPUS4-54739 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Zänker, Steffen A1 - Scholz, G. A1 - Xu, W. A1 - Kemnitz, E. A1 - Emmerling, Franziska T1 - Structure and properties of fluorinated and non-fluorinated Ba-coordination polymers - the position of fluorine makes the difference N2 - As the most electronegative element, fluorine has a strong influence on material properties such as absorption behaviour or chemical and thermal stability. Fluorine can be easily integrated into coordination polymers (CPs) via a fluorinated acetate, here trifluoroacetate in Ba(CF3COO)2, or directly via a metal fluorine bond (BaF(CH3COO)). In the present study both possibilities of fluorine integration were tested and their effect on structure and properties of barium coordination polymers was investigated in comparison with the non-fluorinated barium acetate (Ba(CH3COO)2). In addition to the study of their thermal behaviour and their decomposition temperature, the CPs structures were tested for their application as possible anode materials in lithium ion batteries and for their sorption of water and ammonia. The properties of the CPs can be traced back to the individual structural motifs and could thus trigger new design ideas for CPs in LIBs and/or catalysis. KW - Alkaline earth metal coordination polymers KW - Lithium-ion battery KW - Water stability KW - Fluorine coordination PY - 2020 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-524041 DO - https://doi.org/10.1002/zaac.202000360 SN - 0044-2313 VL - 647 IS - 9 SP - 1014 EP - 1024 PB - Wiley-VCH GmbH AN - OPUS4-52404 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Zänker, Steffen A1 - Scholz, Gudrun A1 - Krahl, Thoralf A1 - Prinz, Carsten A1 - Emmerling, Franziska A1 - Kemnitz, E. T1 - Luminescent properties of Eu3+/Tb3+ doped fluorine containing coordination polymers N2 - Lanthanides doped coordination polymers (CPs) with different binding motifs were synthesized to investigate the influence of the different fluorine positions in the structure on the decay time τ of the excited states. Fluorine can be integrated into the network mechanochemically via a fluorinated organic linker, here barium tetrafluoroterephthalate Ba(p-BDC-F4)2 or directly via a metal-fluorine bond (barium terephthalate fluoride BaF(p-BDC)0.5). The CP with a metal-fluorine bond shows the highest lifetime of the excited states of lanthanides (Eu3+, Tb3+ or Eu3+& Tb3+). The excitation of the lanthanides can be performed directly via the excitation wavelength typical for lanthanides and via the excitation wavelength of the linker. This enabled the simultaneous excitation of Eu3+ and Tb3+ in one CP. In the emission spectra (λem = 393 nm) of the mixed doped CPs (Eu3+ and Tb3+) the bands of both lanthanides can be observed. The integration into the crystal lattice and the homogeneous distribution of the lanthanides in the CPs is shown by X-ray diffraction, TEM, STEM-EDS measurements and the long decay times. KW - Alkaline earth metal coordination polymers KW - Fluorine coordination polymers KW - Lanthanides doped coordination polymers KW - Luminescence PY - 2021 DO - https://doi.org/10.1016/j.solidstatesciences.2021.106614 VL - 117 SP - 106614 PB - Elsevier Masson SAS AN - OPUS4-52559 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Ávila Calderón, Luis T1 - Framework for Curation and Distribution of Reference Datasets on the Example of Creep Data of Ni- Based Superalloys N2 - This presentation introduces our current effort to develop a best practice framework for generating and distributing MSE reference datasets using creep data of Ni-based superalloys as an example, building on previous approaches. Such reference datasets can be used in the verification of testing equipment or to compare experimental or simulation results among different laboratories or collaborative centers. Our framework concept, for reference data, includes the generation of the data along with an agreement on the necessary metadata, considering the intended usage, and the integration into an easily accessible digital infrastructure to annotate and discover/distribute the datasets using a metadata schema accordingly aligned to a domain ontology. T2 - International Materials Science and Engineering Congress - MSE 2024 CY - Darmstadt, Germany DA - 24.09.2024 KW - Referenzdaten KW - Digitalisierung KW - Data schema KW - NFDI-MatWerk KW - Datenschema KW - FAIR PY - 2024 AN - OPUS4-61175 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Ávila Calderón, Luis T1 - Management of Reference Data of Creep of Ni-Based Superalloys Exemplified for CMSX-6 N2 - The identification of process-structure-property relationships of materials inevitably requires the combination of research data from different measurements. Therefore, the concepts related to FAIR (findable, accessible, interoperable, reusable) data handling, increasingly reported in literature, are particularly important in the materials science and engineering domain. However, they have not yet been integrated into a single, overarching methodological framework, particularly for reference data. Here, we introduce such a framework, which covers data generation, documentation, handling, storage, sharing, data search and discovery, retrieval, and usage. Furthermore, we prototypically implement it using a real dataset with creep data of a single-crystal CMSX-6 Ni-based superalloy. The implementation is traceable and permanently accessible through open repositories. The individual elements considered in the framework ensure the functionality and usability of the data and, thus, the adherence to the FAIR principles. In conjunction with this, we present a definition for reference data of materials. Our definition underlines particularly the importance of a comprehensive documentation, e.g., on material provenance, data processing procedures, and the software and hardware used, including software-specific input parameters, as these details enable data users or independent parties to assess the quality of the datasets and to reuse and reproduce the results. Reference data that is managed according to the proposed framework can be used to advance knowledge in the materials science and engineering domain, e.g., by identifying new process-structure-property relations. T2 - The 20th International Conference on Strength of Materials CY - Kyoto, Japan DA - 02.06.2025 KW - NFDI-MatWerk KW - Referenzdaten KW - Data schema KW - Creep PY - 2025 AN - OPUS4-63428 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Ávila Calderón, Luis T1 - Management of Reference Data of Creep of Ni-Based Superalloys Exemplified for CMSX-6 N2 - The identification of process-structure-property relationships of materials inevitably requires the combination of research data from different measurements. Therefore, the concepts related to FAIR (findable, accessible, interoperable, reusable) data handling, increasingly reported in literature, are particularly important in the materials science and engineering domain. However, they have not yet been integrated into a single, overarching methodological framework, particularly for reference data. Here, we introduce such a framework, which covers data generation, documentation, handling, storage, sharing, data search and discovery, retrieval, and usage. Furthermore, we prototypically implement it using a real dataset with creep data of a single-crystal CMSX-6 Ni-based superalloy. The implementation is traceable and permanently accessible through open repositories. The individual elements considered in the framework ensure the functionality and usability of the data and, thus, the adherence to the FAIR principles. In conjunction with this, we present a definition for reference data of materials. Our definition underlines particularly the importance of a comprehensive documentation, e.g., on material provenance, data processing procedures, and the software and hardware used, including software-specific input parameters, as these details enable data users or independent parties to assess the quality of the datasets and to reuse and reproduce the results. Reference data that is managed according to the proposed framework can be used to advance knowledge in the materials science and engineering domain, e.g., by identifying new process-structure-property relations. T2 - TMS 2025 Annual Meeting & Exhibition CY - Las Vegas, NV, USA DA - 22.03.2025 KW - Referenzdaten KW - Creep KW - Data schema KW - NFDI-MatWerk PY - 2025 AN - OPUS4-62849 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Ávila Calderón, Luis T1 - IUC02: Framework for Curation & Distribution of Reference Datasets (On the example of Creep Data of Ni Based superalloys) N2 - A research data management framework to conceptualize & implement a digital infrastructure for the Generation, Distribution, and Utilization of reference datasets of materials is presented. The documentation of the test data is often incomplete. This concerns, e.g., material’s manufacturing process or chemical composition, or test equipment’s description and its calibration status. Our concept addresses this issue by proposing the implementation of a requirements profile. A crucial part of the concept is to reach a community-agreement on the definition of reference data and on the underlying data schema and vocabulary. In this presentation a general workflow overview and the relevance of selected individual subworkflows is presented. T2 - MSE Research Data Forum 2025 CY - Siegburg, Germany DA - 08.07.2025 KW - NFDI MatWerk KW - Referenzdaten KW - Kriechen PY - 2025 AN - OPUS4-64881 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Ávila Calderón, Luis T1 - Management of Reference Data of Creep of Ni Based Superalloys Exemplified for CMSX 6 N2 - Research data management (RDM) framework to conceptualize & implement a digital infrastructure for the Generation, Distribution, and Utilization of reference datasets of materials. Documentation of the test data is often incomplete. This concerns, e.g., material’s manufacturing process or chemical composition, or test equipment’s description and its calibration status. Our concept addresses this issue by proposing the implementation of a requirements profile. A crucial part of the concept is to reach a community-agreement on the definition of reference data and on the underlying data schema and vocabulary. T2 - 2. SupERBO Symposium on Superalloys CY - Bochum, Germany DA - 27.02.2025 KW - NFDI MatWerk KW - Referenzdaten KW - Kriechen PY - 2025 AN - OPUS4-64859 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Ávila Calderón, Luis T1 - Management of Reference Data in Materials Science and Engineering Exemplified for Creep Data of a Single-Crystalline Ni-Based Superalloy N2 - Here we present our research data management (RDM) framework to conceptualize & implement a digital infrastructure for the Generation, Distribution, and Utilization of reference datasets of materials. The documentation of the test data is often incomplete. This concerns, e.g., material’s manufacturing process or chemical composition, or test equipment’s description and its calibration status. Our concept addresses this issue by proposing the implementation of a requirements profile. A crucial aspect of our concept is to reach a community-agreement on the definition of reference data and on the underlying data schema and vocabulary. T2 - MaRDA2025 Virtual Annual Meeting CY - Online meeting DA - 18.02.2025 KW - NFDI MatWerk KW - Referenzdaten KW - Kriechen KW - Datenschema PY - 2025 AN - OPUS4-64858 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Ávila Calderón, Luis A1 - Hammerschmidt, T. A1 - Gedsun, A. A1 - Forti, M. A1 - Olbricht, Jürgen A1 - Stotzka, R. A1 - Skrotzki, Birgit T1 - IUC02 Framework for Curation and Distribution of Reference Datasets using Creep Data of Ni-Base Superalloys as an Example N2 - In our current view, reference datasets in the MSE domain represent specific material properties, e.g., structural, mechanical, … characteristics. A reference dataset must fulfill high-quality standards, not only in precision of measurement but also in a comprehensive documentation of material, processing, and testing history (metadata). This Infrastructure Use Case (IUC) aims to develop a framework for generating reference material datasets using creep data of a single crystal Ni-based superalloy as a best practice example. In a community-driven process, we aim to encourage the discussion and establish a framework for the creation and distribution of reference material datasets. In this poster presentation, we highlight our current vision and activities and intend to stimulate the discussion about the topic reference datasets and future collaborations and work. T2 - NFDI-MatWerk Conference CY - Siegburg, Germany DA - 27.06.2023 KW - Referenzdaten KW - Reference data KW - Syngle Crystal alloy KW - Creep KW - Metadata schema PY - 2023 AN - OPUS4-57923 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Ávila Calderón, Luis A1 - Hammerschmidt, T. A1 - Stotzka, R. T1 - Demonstration of the Infrastructure Use Case 02: Framework for curation and distribution of reference datasets N2 - In our current view, reference datasets in the MSE domain represent specific material properties, e.g., structural, mechanical, … characteristics. A reference dataset must fulfill high-quality standards, not only in precision of measurement but also in a comprehensive documentation of material, processing, and testing history (metadata). This Infrastructure Use Case (IUC) aims to develop a framework for generating reference material datasets using creep data of a single crystal Ni-based superalloy as a best practice example. In a community-driven process, we aim to encourage the discussion and establish a framework for the creation and distribution of reference material datasets. In this poster presentation, we highlight our current vision and activities and intend to stimulate the discussion about the topic reference datasets and future collaborations and work. T2 - NFDI-MatWerk Conference CY - Siegburg, Germany DA - 27.06.2023 KW - Referenzdaten KW - Reference data KW - Creep KW - Metadata schema KW - Syngle Crystal alloy PY - 2023 AN - OPUS4-57924 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Ávila Calderón, Luis A1 - Shakeel, Y. A1 - Gedsun, A. A1 - Forti, M. A1 - Hunke, S. A1 - Han, Ying A1 - Hammerschmidt, T. A1 - Aversa, R. A1 - Olbricht, Jürgen A1 - Chmielowski, M. A1 - Stotzka, R. A1 - Bitzek, E. A1 - Hickel, Tilmann A1 - Skrotzki, Birgit T1 - Management of reference data in materials science and engineering exemplified for creep data of a single-crystalline Ni-based superalloy N2 - The identification of process-structure-property relationships of materials inevitably requires the combination of research data from different measurements. Therefore, the concepts related to FAIR (findable, accessible, interoperable, reusable) data handling, increasingly reported in literature, are particularly important in the materials science and engineering domain. However, they have not yet been integrated into a single, overarching methodological framework, particularly for reference data. Here, we introduce such a framework. Our concept covers data generation, documentation, handling, storage, sharing, data search and discovery, retrieval, and usage. Furthermore, we prototypically implement it using a real dataset with creep data of a single-crystal CMSX-6 Ni-based superalloy. The presented implementation is traceable and permanently accessible through open repositories. The individual elements considered in the framework ensure the functionality and usability of the data and, thus, the adherence to the FAIR principles. In conjunction with this, we present a definition for reference data of materials. Our definition underlines particularly the importance of a comprehensive documentation, e.g., on material provenance, data processing procedures, and the software and hardware used, including software-specific input parameters, as these details enable data users or independent parties to assess the quality of the datasets and to reuse and reproduce the results. Reference data that is managed according to the proposed framework can be used to advance knowledge in the materials science and engineering domain, e.g., by identifying new process-structure-property relations. KW - Referenzdaten KW - NFDI-MatWerk KW - Data schema KW - Research Data Management KW - Reference Data PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-625047 DO - https://doi.org/10.1016/j.actamat.2025.120735 VL - 286 SP - 1 EP - 15 PB - Elsevier Inc. AN - OPUS4-62504 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Özcan Sandikcioglu, Özlem T1 - DELTA - Investigation of corrosion and microbially influenced corrosion processes by means of X-Ray absorption spectroscopy N2 - Alloys relevant for corrosion research are inherently complex in chemical composition and microstructure. Their local surface chemistry differs significantly from the bulk composition and their surfaces are subjected to ever changing environmental conditions. Thus, a thorough understanding of the mechanisms leading to material degradation and failure requires a detailed characterisation of the initial and final states as well as an adequate monitoring of the relevant properties as a function of time. Moreover, corrosion products tend to oxidize in contact with the atmosphere. Microbially influenced corrosion (MIC) poses a particular challenge regarding the experimental methods that can be used for the investigations. The use of highly sensitive methods of ultra-high vacuum surface analysis requires the removal of the biofilm, which leads to significant changes in the interfacial chemistry. In recent projects we applied X-ray absorption near edge spectroscopy (XANES) to investigate mechanisms of aqueous corrosion, high temperature corrosion and MIC processes of stainless steel and multi-principal element alloys (MPEAs). By combining in situ XANES studies on model thin films with ex situ XANES analysis of technical samples we aimed to obtain a holistic understanding of degradation processes. In this presentation we will summarize our results on the application of XANES to corrosion and MIC research with two case studies. In the first case study, in situ and ex situ XANES were used for the investigation of aqueous and high-temperature corrosion processes of alloys from FeNiCr-Mn MPEA family to clarify the role of Mn in determining the corrosion resistance and passive film formation. Our results indicate that Mn plays a major role in suppressing Fe oxidation. In the second example we have shown by means of in situ and ex situ XANES analysis that cultivation of metal reducing bacteria (MRB) in abundance of Fe(III) ions leads to a significant increase in electrochemical activity and thus, to an accelerated corrosion of the metallic substrate. This implies that bacterial colonies released from active corrosion sites might show a preconditioning effect and pose a higher corrosion risk. T2 - eMRS 2024 Spring Meeting CY - Strasbourg, France DA - 27.05.2024 KW - Corrosion KW - XANES KW - MIC KW - Multi-principal element alloys PY - 2024 AN - OPUS4-62636 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Özcan Sandikcioglu, Özlem T1 - Material Acceleration Platforms of BAM (MAPs@BAM) N2 - Material Acceleration Platforms (MAPs) represent a transformative approach to the development of resilient and sustainable technology value chains. These platforms can identify candidate chemistries and structures via simulations, and database searches and leverage machine learning-based rapid screening to accelerate the discovery and deployment of novel materials, thereby addressing critical challenges in modern technology sectors. Incorporating high-fidelity advanced characterization in the early phases of material development is crucial for early de-risking. Advanced characterization techniques, such as X-ray diffraction, advanced electrochemical and spectroscopic techniques provide comprehensive insights into the structural, chemical, and physical properties of materials. Long-term testing further contributes to the de-risking process by evaluating the durability and stability of materials under various environmental and operational conditions. This presentation will briefly summarize how we address these issues at MAPs@BAM and provide deep-dives on best practices. As the demand for advanced materials continues to grow, MAPs will play an increasingly vital role in driving technological advancements and addressing global challenges. T2 - FutureLabsLive Basel CY - Basel, Switzerland DA - 25.06.2024 KW - MAPs@BAM PY - 2024 AN - OPUS4-62643 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Özcan Sandikcioglu, Özlem T1 - Material Acceleration Platforms of BAM (MAPs@BAM) N2 - Material Acceleration Platforms (MAPs) represent a transformative approach to the development of resilient and sustainable technology value chains. These platforms can identify candidate chemistries and structures via simulations, and database searches and leverage machine learning-based rapid screening to accelerate the discovery and deployment of novel materials, thereby addressing critical challenges in modern technology sectors. Incorporating high-fidelity advanced characterization in the early phases of material development is crucial for early de-risking. Advanced characterization techniques, such as X-ray diffraction, advanced electrochemical and spectroscopic techniques provide comprehensive insights into the structural, chemical, and physical properties of materials. Long-term testing further contributes to the de-risking process by evaluating the durability and stability of materials under various environmental and operational conditions. This presentation will briefly summarize how we address these issues at MAPs@BAM and provide deep-dives on best practices. As the demand for advanced materials continues to grow, MAPs will play an increasingly vital role in driving technological advancements and addressing global challenges. T2 - EERA-JPNM Days Workshop (EERA-Joint Programme on Nuclear Materials) CY - Online meeting DA - 29.05.2024 KW - MAPs@BAM PY - 2024 AN - OPUS4-62642 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Özcan Sandikcioglu, Özlem T1 - The interplay of anodic passivation and oxygen evolution on multi-principal element alloys (MPEAs) N2 - Multi-principal element alloys (MPEAs) are of great academic and industrial interest as emerging materials for engineering applications as well as potential electrode materials in energy conversion and storage. Several MPEAs have been studied for their general corrosion behavior, but studies on their dissolution in the high anodic “transpassive” potentials relevant for oxygen evolution reaction (OER) and local corrosion behavior remained scarce. In this project we have investigated CrMnFeCoNi, FeCrNi and CrCoNi MPEAs in terms of their transpassive behavior in NaCl electrolytes and artificial seawater [1, 2]. We introduced a characterization procedure to distinguish the individual contributions of oxygen evolution reaction (OER) and alloy dissolution [2]. This scheme utilizes scanning electrochemical microscopy (SECM) for detecting the onset of OER and employs quantitative chemical analysis methods, namely inductively coupled mass spectrometry (ICP-MS) and ultraviolet-visible light (UV-Vis) spectroscopy, to elucidate the processes of metal dissolution. In-situ atomic force microscopy (AFM) and scanning Kelvin probe force microscopy (SKPFM) were used to analyze the corrosion morphology and surface potentials before, during, and after passivity breakdown. Our results clearly demonstrate the superior corrosion behavior of CrCoNi and FeCrNi MPEA in comparison to the CrFeMnCoNi HEA, as well as AISI 304 stainless steel. We have observed that significant OER occurs in parallel with metal dissolution on the CrCoNi and FeCrNi MPEA surfaces during anodic polarization at potentials relevant to water electrolysis. Most importantly, our findings underscore the necessity of analyzing metal ions dissolved into the electrolyte to accurately assess the Faradaic efficiencies of non-noble metal OER electrocatalysts. The presentation will summarize our characterization procedure and give an overview on the key properties of the studied MPEAs.  [1] A. Wetzel, M. von der Au, P.M. Dietrich, J. Radnik, O. Ozcan, J. Witt, The comparison of the corrosion behavior of the CrCoNi medium entropy alloy and CrMnFeCoNi high entropy alloy, Appl. Surf. Sci., 601 (2022) 154171. [2] A. Wetzel, D. Morell, M. von der Au, G. Wittstock, O. Ozcan, J. Witt, Transpassive Metal Dissolution vs. Oxygen Evolution Reaction: Implication for Alloy Stability and Electrocatalysis, Angew. Chem. Int. Ed. Engl., n/a (2024) e202317058. T2 - ECASIA 2024 CY - Gothenburg, Sweden DA - 09.06.2024 KW - CCMat KW - Corrosion KW - Electrocatalysis KW - Oxygen evolution reaction PY - 2024 AN - OPUS4-62637 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Özcan Sandikcioglu, Özlem T1 - State-of-the-art in map development: Best practices for application in nuclear materials N2 - Material Acceleration Platforms (MAPs) represent a transformative approach to the development of resilient and sustainable technology value chains. These platforms can identify candidate chemistries and structures via simulations, and database searches and leverage machine learning-based rapid screening to accelerate the discovery and deployment of novel materials, thereby addressing critical challenges in modern technology sectors. Incorporating high-fidelity advanced characterization in the early phases of material development is crucial for early de-risking. Advanced characterization techniques, such as X-ray diffraction, advanced electrochemical and spectroscopic techniques provide comprehensive insights into the structural, chemical, and physical properties of materials. Long-term testing further contributes to the de-risking process by evaluating the durability and stability of materials under various environmental and operational conditions. This presentation will briefly summarize how we address these issues at MAPs@BAM and provide deep-dives on best practices. As the demand for advanced materials continues to grow, MAPs will play an increasingly vital role in driving technological advancements and addressing global challenges. T2 - CONNECT-NM European Partnership Kick-off Meeting CY - Madrid, Spain DA - 02.10.2024 KW - MAPs@BAM KW - Corrosion PY - 2024 AN - OPUS4-62646 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Özcan Sandikcioglu, Özlem T1 - Material Acceleration Platforms of BAM (MAPs@BAM) N2 - Material Acceleration Platforms (MAPs) represent a transformative approach to the development of resilient and sustainable technology value chains. These platforms can identify candidate chemistries and structures via simulations, and database searches and leverage machine learning-based rapid screening to accelerate the discovery and deployment of novel materials, thereby addressing critical challenges in modern technology sectors. Incorporating high-fidelity advanced characterization in the early phases of material development is crucial for early de-risking. Advanced characterization techniques, such as X-ray diffraction, advanced electrochemical and spectroscopic techniques provide comprehensive insights into the structural, chemical, and physical properties of materials. Long-term testing further contributes to the de-risking process by evaluating the durability and stability of materials under various environmental and operational conditions. This presentation will briefly summarize how we address these issues at MAPs@BAM and provide deep-dives on best practices. As the demand for advanced materials continues to grow, MAPs will play an increasingly vital role in driving technological advancements and addressing global challenges. T2 - International Cooperation on Innovative Materials for Energy Workshop CY - Brussels, Belgium DA - 19.04.2024 KW - MAPs@BAM PY - 2024 AN - OPUS4-62641 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Özcan Sandikcioglu, Özlem T1 - Autonomous exploration of new alloy chemistries using a Material Acceleration Platform (MAP) N2 - The discovery and commercialization of new corrosion resistant alloys by conventional approaches and manual experimentation is a slow and expensive process. In the last few years, efforts have been dedicated internationally to design self-driving-laboratories, also called Material Acceleration Platforms (MAPs). MAPs integrate material synthesis, characterization and testing modules into circular workflows through automation and use artificial intelligence (AI) for efficient and autonomous experiment design, property prediction and data analysis. We have established a MAP for corrosion research by automating diverse liquid operations, electrochemical testing and data evaluation, where the test results are interpreted via a machine learning (ML)-based backend. The workflows of the electrochemistry module are configured for electrodeposition of different alloys and subsequently performing electrochemical corrosion testing. The platform uses the results of the electrochemical tests to determine the next set of deposition parameters in a continuous and autonomous loop until the user-defined objectives are met. In this project we used the MAP to design new multi-principal element alloys (MPEAs) as corrosion resistant electrode materials for H2O and CO2 electrolysis. One campaign contains a maximum of 144 runs. From each successful campaign top five leads and another five randomly selected materials proceed to upscaling either by electrodeposition at larger scale or as bulk ingots cast by means of arc-melting. With these samples, a detailed chemical and electrochemical characterization using surface analysis techniques was performed to validate the success of the MAP-based optimization. The presentation will give an overview of the design and build phases of our MAP, its modules and workflows. Moreover, we will summarize our results from the FeNiCrCuCoMo MPEA system. T2 - EUROCORR 2024 CY - Paris, France DA - 01.09.2024 KW - MAPs@BAM KW - Corrosion KW - Electrodeposition KW - Material Acceleration Platform KW - Electrochemistry PY - 2024 AN - OPUS4-62635 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Özcan Sandikcioglu, Özlem T1 - MAPz@BAM Material Acceleration Plattform Zentrum @ BAM N2 - Die Material Acceleration Platform der BAM (MAPz@BAM) bündelt unsere Automatisierungs-Expertise auf dem Gebiet der Materialwissenschaft und -prüfung. Wir entwickeln modulare Experimentmodule, automatische Prüf- und Auswerteverfahren und setzen künstliche Intelligenz für eine effiziente und autonome Versuchsplanung, - vorhersage und Datenanalyse ein. T2 - Kick off Meeting / EnerMAC ZIM Network CY - Berlin, Germany DA - 07.12.2023 KW - Material Acceleration Platforms (MAPs) KW - Self-driving-labs (SDLs) KW - MAPz@BAM PY - 2023 AN - OPUS4-59411 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Özcan Sandikcioglu, Özlem T1 - MAPz@BAM Material Acceleration Plattform Zentrum @ BAM N2 - Die Material Acceleration Platform der BAM (MAPz@BAM) bündelt unsere Automatisierungs-Expertise auf dem Gebiet der Materialwissenschaft und -prüfung. Wir entwickeln modulare Experimentmodule, automatische Prüf- und Auswerteverfahren und setzen künstliche Intelligenz für eine effiziente und autonome Versuchsplanung, - vorhersage und Datenanalyse ein. T2 - TechConnect Adlershof: Grand Solutions CY - Berlin, Germany DA - 06.11.2023 KW - Material Acceleration Platforms (MAPs) KW - Self-driving-labs (SDLs) KW - MAPz@BAM PY - 2023 AN - OPUS4-59412 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Özcan Sandikcioglu, Özlem T1 - Exploration of Fe-Ni-Cr-X systems using diffusion couples for new alloy chemistries with improved mechanical and corrosion properties N2 - Multi-principal element alloys (MPEAs) are disrupting methodologies in conventional alloy design, characterized by a singular dominant element dictating composition. The traditional optimization of the functional properties of alloys primarily relies on microalloying techniques. The advent of MPEAs has significantly broadened the chemical landscape available for exploration, approaching near-infinite possibilities. Consequently, innovative methodologies are imperative for discovering new alloys that exhibit properties customized for specific applications, simultaneously mitigating dependence on critical minerals. One promising approach for rapid screening of possible alloy chemistries and exploring the hitherto untouched regions of ternary, quaternary or higher order phase diagrams is the use of diffusion couples and multiples. The present study focusses on the exploration of quaternary multi-principle-element alloys (MPEAs) using diffusion multiples. We established diffusion systems by combining an equimolar ternary alloy (FeNiCr) with single diffusing elements Mn, Mo and Ta. Using ThermoCalc® and DICTRA® simulations, we determined suitable parameters (temperature and diffusion time) that would lead to the formation of single-phase alloys and diffusion lengths (>50 μm) that suit the application of high-resolution characterization methods. Microstructural and compositional characterization was performed via scanning electron microscopy (SEM) and energy dispersive X-ray spectroscopy (EDX), electron probe microanalyzer (EPMA) and correlated to local mechanical properties evaluated by means of nanoindentation. Selected compositions from the diffusion couples were recast and homogenized to obtain bulk samples for the assessment of high-temperature and aqueous corrosion properties. Our results indicate that the ThermoCalc simulations have a good predictive power for crystallographic phases for Mn and Mo containing MPEAs derived from the diffusion couples. Moreover, our data on FeCrNi-Ta system provides valuable experimental input for respective databases necessary for simulation of phase diagrams. The presentation will summarize our methodology using diffusion couples as an efficient tool for exploring compositional spaces of MPEAs in the search for novel alloy chemistries and the results of our correlative study on the mechanical and corrosion properties of the selected quaternary systems. T2 - EUROCORR 2024 CY - Paris, France DA - 01.09.2024 KW - CCMat KW - Corrosion KW - Diffusion couples KW - Multi-principal element alloys PY - 2024 AN - OPUS4-62634 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Özcan Sandikcioglu, Özlem T1 - Material acceleration platforms (MAPs) - Global activities and developments at BAM N2 - Die Material Acceleration Platform der BAM (MAPz@BAM) bündelt unsere Automatisierungs-Expertise auf dem Gebiet der Materialwissenschaft und -prüfung. Wir entwickeln modulare Experimentmodule, automatische Prüf- und Auswerteverfahren und setzen künstliche Intelligenz für eine effiziente und autonome Versuchsplanung, - vorhersage und Datenanalyse ein. T2 - WPFM Expert Group on Structural Materials (EGSM) CY - Online meeting DA - 23.05.2023 KW - Material Acceleration Platforms (MAPs) KW - MAPz@BAM KW - Self-driving-labs PY - 2023 AN - OPUS4-59409 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Özcan Sandikcioglu, Özlem T1 - High-throughput, automated and autonomous approaches for the design of corrosion resistant materials N2 - The integration of high-throughput electrochemistry, experimental automation and AI-driven processes is enabling the rapid discovery and optimization of advanced materials. This presentation will summarize our research in this field. T2 - GfKORR Grundlagen und Simulation Arbeitsgruppentreffen CY - Online meeting DA - 04.07.2024 KW - MAPs@BAM KW - CCMat KW - Corrosion KW - Electrochemistry PY - 2024 AN - OPUS4-62644 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR ED - Stawski, Tomasz ED - Van Driessche, A. E. S. T1 - Special issue "Formation of sulfate minerals in natural and industrial environments" N2 - Sulfate is abundant in the environment and, as a result, sulfate-containing minerals constitute a large and important focus of research. These minerals play an important role in many geochemical and industrial processes, including the sulfur cycle, the construction industry (e.g., plaster of Paris), fault tectonics, acid mine drainage, and even rare biominerals. Important to note are the abundant amounts of sulfate (minerals) located on the surface of Mars, and in meteorites, extending the relevance of this mineral group beyond the realm of our planet. In geological systems, sulfate minerals such as barite are also important for indicating certain sedimentation environments. In this regard, sulfate deposits can be used to evaluate the redox state of ancient oceans during early Earth time periods. KW - Calcium sulfate KW - Sulfates PY - 2020 UR - https://www.mdpi.com/journal/minerals/special_issues/FSMNIE SN - 2075-163X VL - 10(9)-12(3) SP - 10-812-1 EP - 12-299-3 PB - MDPI CY - Basel AN - OPUS4-54700 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR ED - Krüger, Jörg ED - Bonse, Jörn T1 - Special Issue "Advanced Pulse Laser Machining Technology" N2 - Advanced Pulse Laser Machining Technology is a rapidly growing field to tailor special industrial and scientific applications. This is significantly driven by the availability of high-repetition rate laser sources and novel beam delivery concepts. This Special Issue focuses on developments in areas of surface and volume laser material processing, including spatial and temporal beam shaping, Bessel-beam dicing, direct laser interference patterning (DLIP), laser-induced forward transfer (LIFT), pulse burst machining, waveguide writing, and two-photon polymerization. Additionally, limitations of modern laser processing caused by failure of laser optics or unwanted secondary hazards like X-ray emission are addressed. Here, we would like to attract contributors from industry and academics. This Special Issue shall bundle original research and review articles of the latest achievements. KW - Advanced ultrashort-laser technology KW - Bessel-beam laser dicing KW - Direct laser interference patterning (DLIP) KW - High-repetition rate ultrafast laser processing KW - Laser-induced forward transfer (LIFT) KW - X-ray hazards during ultrafast laser processing KW - Volume processing, waveguide writing KW - Temporal beam shaping for precision machining PY - 2023 UR - https://www.mdpi.com/journal/materials/special_issues/pulse_laser_machining SN - 1996-1944 PB - MDPI CY - Basel AN - OPUS4-56842 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN ED - Bonse, Jörn ED - Spaltmann, Dirk T1 - Laser-induced periodic surface nano- and microstructures for tribological applications N2 - This book is a reprint collection of articles from the Special Issue published online in the open access journal Lubricants. KW - Laser-induced periodic surface structures (LIPSS) KW - Friction KW - Wear KW - Applications PY - 2020 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-516611 UR - https://www.mdpi.com/books/pdfview/book/3130 SN - 978-3-03943-523-4 SN - 978-3-03943-524-1 SP - 1 EP - 180 PB - MDPI CY - Basel AN - OPUS4-51661 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN ED - Simon, P. ED - Ihlemann, J. ED - Bonse, Jörn T1 - Laser-generated periodic nanostructures N2 - This book is a reprint collection of articles from the Special Issue published online in the open access journal Nanomaterials. KW - Laser-induced periodic surface structures (LIPSS) KW - Direct laser-interference patterning (DLIP) KW - Applications KW - Numerical simulations PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-535146 UR - https://www.mdpi.com/books/pdfview/book/4426 SN - 978-3-0365-2027-8 SN - 978-3-0365-2028-5 DO - https://doi.org/10.3390/books978-3-0365-2028-5 SP - 1 EP - 328 PB - MDPI CY - Basel AN - OPUS4-53514 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR ED - Pfeffer, M. ED - Bonse, Jörn ED - Lasagni, A. F. T1 - Topical issue: Laser micro- and nano-material processing - Part 1 N2 - This special issue of Advanced Optical Technologies (AOT) is dedicated to the field of laser-based micro- and nanostructuring methods. KW - Laser processing KW - Microstructures KW - Nanostructures KW - Applications PY - 2020 UR - https://www.degruyter.com/view/journals/aot/9/1-2/aot.9.issue-1-2.xml SN - 2193-8576 SN - 2193-8584 VL - 9 IS - 1-2 SP - 7 EP - 110 PB - De Gruyter CY - Berlin AN - OPUS4-50798 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR ED - Pfeffer, M. ED - Bonse, Jörn ED - Lasagni, A. F. T1 - Topical issue: Laser micro- and nano-material processing - Part 2 N2 - This special issue of Advanced Optical Technologies (AOT) is dedicated to the field of laser-based micro- and nanostructuring methods. KW - Applications KW - Laser processing KW - Microstructures KW - Nanostructures PY - 2020 UR - https://www.degruyter.com/view/journals/aot/9/3/aot.9.issue-3.xml SN - 2193-8576 SN - 2193-8584 VL - 9 IS - 3 SP - 111 EP - 153 PB - De Gruyter CY - Berlin AN - OPUS4-50997 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR ED - Simon, P. ED - Ihlemann, J. ED - Bonse, Jörn T1 - Special issue "Laser-generated periodic nanostructures" N2 - The study of laser-fabricated periodic nanostructures is one of the leading topics of today’s photonics research. Such structures on the surface of metals, semiconductors, dielectrics, or polymers can generate new material properties with special functionalities. Depending on the specific material parameters and the morphology of the structures, new devices such as microlasers, optical nanoswitches, optical storage devices, sensors or antifraud features can be realized. Furthermore, laser-generated surface textures can be used to improve the tribological properties of surfaces in contact and in relative motion—to reduce friction losses or wear, to modify the wettability or the cell and biofilm growth properties of surfaces through bioinspired laser engineering, for emerging medical applications, or as decoration elements for the refinement of precious goods. This Special Issue “Laser-Generated Periodic Nanostructures” focuses on the latest experimental and theoretical developments and practical applications of laser-generated periodic structures that can be generated in a “self-organized” way (laser-induced periodic surface structures, LIPSS, ripples) or via laser interference-based direct ablation (often referred to as direct laser interference patterning, DLIP). We aimed to attract both academic and industrial researchers in order to collate the current knowledge of nanomaterials and to present new ideas for future applications and new technologies. By 8 August 2021, 22 scientific articles have been published in the Special Issue. KW - Laser-induced periodic surface structures (LIPSS) KW - Direct laser-interference patterning (DLIP) KW - Surface functionalization KW - Laser processing KW - Applications PY - 2021 UR - https://www.mdpi.com/journal/nanomaterials/special_issues/laser-generated_periodic SN - 2079-4991 VL - 10(1)-11(8) SP - 147-1 EP - 2054-7 PB - MDPI CY - Basel AN - OPUS4-53099 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR ED - Schmidt-Grund, R. ED - Sturm, C. ED - Hertwig, Andreas T1 - Topical issue: Ellipsometry N2 - Ellipsometry is a matured experimental method, whose roots reach back into the early phase of modern optics itself. It is often attributed to be invented by Paul Drude in the last decade of the 19th century, but similar techniques had already been applied for years before Drude started his work. With this Special Issue about ellipsometry and related techniques, we hope to bring more attention to this method and advance and propagate it to be used by a broader community. KW - Spectroscopy KW - Ellipsometry KW - Surfaces KW - Thin films KW - Advanced optics KW - Optical measurement technology PY - 2022 UR - https://www.degruyter.com/journal/key/aot/11/3-4/html#contents SN - 2192-8584 SN - 2192-8576 VL - 11 IS - 3-4 SP - 47 EP - 147 PB - De Gruyter CY - Berlin AN - OPUS4-55468 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR ED - Bonse, Jörn ED - Spaltmann, Dirk T1 - Special issue: Laser-induced periodic surface nano- and microstructures for tribological applications N2 - Laser material processing is an emerging technology that generates surface functionalities on the basis of optical, mechanical, or chemical properties. In the form of laser surface texturing (LST), it has attracted a remarkable amount of research to tailor surface properties towards various tribological applications. The main advantages of this single-step, laser-based technology are the contactless machining, featuring a high flexibility, efficiency, and speed, along with the excellent quality of the processed products. LST can be applied precisely localized to sub-micrometric areas, but, via laser beam scanning, it is also feasible for structuring large surface areas at the square meter size. This Special Issue focuses on the latest developments concerning the tribological performance of laser-generated periodic surface nano- and microstructures and their applications. This includes the laser-based processing of different surface patterns, such as “self-organized” laser-induced periodic surface structures (LIPSS, ripples), grooves, micro-spikes, hierarchical hybrid nano-/micro-structures, microfeatures generated by direct laser interference patterning (DLIP), or even dimples or other topographic geometries shaped by direct laser modification or ablation. The applications of these periodically nano- and micro-patterned surfaces may improve the lubricated or non-lubricated tribological performance of surfaces in conformal and even non-conformal contact through a reduction of wear, a variation of the coefficient of friction, altered load carrying capacity, etc., resulting in energy saving, improved reliability, increased lifetimes as well as durability, leading in turn to extended maintenance intervals/reduced down-time. This can be beneficial in terms of bearings, gears, engines, seals, cutting tools, or other tribological components. Fundamental aspects addressed may involve the investigation of the relevant physical and chemical effects accompanying the laser-generated nano- and microscale topographies, such as alterations of the material structures, the hardness, superficial oxidation, the role of additives contained in lubricants, surface wettability, micro-hydrodynamic effects, etc. For this Special Issue we aim to attract both academic and industrial researchers and would like to provide a bridge between research in the fields of tribology and laser material processing in order to foster the current knowledge and present new ideas for future applications and new technologies. KW - Applications KW - Friction KW - Laser-induced periodic surface structures (LIPSS) KW - Tribology KW - Wear PY - 2020 UR - https://www.mdpi.com/journal/lubricants/special_issues/laser_periodic SN - 2075-4442 VL - 8 IS - 3 SP - Article 1 EP - Article 10 PB - MDPI CY - Basel AN - OPUS4-50914 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF ED - Hahn, Oliver ED - Doil, Thorsten T1 - Workshop Kulturguterhaltung - Vom Dampfkessel zu Nanomaterialien N2 - Sehr geehrte Damen und Herren, liebe Leserinnen und Leser, bereits im ersten Band der N.i.Ke. Schriftenreihe des Netzwerks zur interdisziplinären Kulturerhaltung hatte ich angeführt, dass bei der Untersuchung von kulturellen Artefakten naturwissenschaftliche Untersuchungsmethoden zunehmend an Bedeutung gewinnen, sie eigentlich unverzichtbar geworden sind. Ein besonders einprägsames Beispiel dieser fächerübergreifenden Zusammenarbeit zwischen Geisteswissenschaften, Naturwissenschaften und Restaurierungswissenschaften war die Ausstellung Johannes Vermeer. Vom Innehalten, die in diesem Jahr in der Gemäldegalerie Alter Meister in den staatlichen Kunstsammlungen Dresden gezeigt wurde. Eigens für diese Ausstellung wurde das Gemälde Brieflesendes Mädchen am offenen Fenster einer grundlegenden Restaurierung unterzogen. Diese Restaurierung diente jedoch nicht nur der Reparatur des Bildes. Um sich dem ursprünglichen Zustand des Gemäldes zwischen 1657 und 1659 anzunähern, wurden später hinzugefügte Malschichten großflächig abgenommen. Möglich wurde dies durch unterschiedliche, bildgebende materialwissenschaftliche Untersuchungen im Vorfeld, welche die wissenschaftlichen Grundlagen für die Diskussion über den weiteren Umgang mit der Lesenden schufen. Materialanalytische Verfahren wurden und werden ständig weiterentwickelt und optimiert. Sei es, um aus einer Vielzahl von Einzelmessungen ein Gesamtbild zu erstellen, oder die Größe einer Probenentnahme so zu reduzieren, dass von einer „minimal-invasiven“ oder „quasi nicht-invasiven“ Untersuchung ausgegangen werden kann. Nun feiert die Bundesanstalt für Materialforschung und -prüfung, zusammen mit ihren Vorgängerinstitutionen, den königlichen Versuchsanstalten, in diesem Jahr ihren einhundertfünfzigsten Geburtstag. Sie blickt damit auf eine lange Tradition materialwissenschaftlicher Analysen zurück, an deren Beginn beispielsweise die metallographischen Untersuchungen von Adolf Martens stehen. Derartige Untersuchungen bilden auch heute noch einen wesentlichen Bestandteil archäometallurgischer Forschung. Die Historie bzw. die Weiterentwicklung der Methodik lässt sich hier besonders gut nachzeichnen. Jedoch blicken auch Verfahren zur Charakterisierung weiterer Werkstoffe, wie Glas, Keramik, oder organischer Materialien auf eine lange Geschichte zurück. Die in diesem Band der N.i.Ke.-Schriftenreihe präsentierten Beiträge dokumentieren einerseits aktuelle Forschungsarbeiten, die erst in diesem Jahr in entsprechenden Fachjournalen publiziert wurden, andererseits liegen einige der Arbeiten bereits 50 Jahre zurück. Sie bekunden damit nicht nur die materialtechnologische und historische Bandbreite der Projekte, sondern offenbaren die Vielfältigkeit kulturhistorischer oder restauratorischer Fragestellungen, zu deren Beantwortung natur- und materialwissenschaftliche Forschung wesentliche Beiträge liefern können. Ich bedanke mich bei allen Kolleginnen und Kollegen, die zur Erstellung dieser dritten Ausgabe der N.i.Ke. Schriftenreihe des Netzwerks zur interdisziplinären Kulturerhaltung beigetragen haben. Ihre Aufsätze ermöglichen den Blick in die Vielfältigkeit materialwissenschaftlicher Untersuchungen im Bereich Kunst- und Kulturgut. Ich wünsche Ihnen viel Spaß auf dieser kleinen Zeitreise. T2 - Workshop Kulturguterhaltung - Vom Dampfkessel zu Nanomaterialien CY - Berlin, Germany DA - 17.11.2021 KW - Pergamonmuseums KW - Schriftrollen vom Toten Meer KW - Gold mit Synchrotronstrahlung KW - Kandelaber des Ensembles am Charlottenburger Tor KW - Berliner Tuffsteinfassaden KW - Betondickglasfenster des Glockenturms am Eiermannbau KW - Kaiser-Wilhelm-Gedächtniskirche KW - Radiografische Untersuchung PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-543239 UR - https://netzwerke.bam.de/Netzwerke/Navigation/DE/Netzwerke/NIKE/nike.html VL - 3 SP - 1 EP - 155 PB - Bundesanstalt für Materialforschung und -prüfung (BAM) CY - Berlin AN - OPUS4-54323 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN ED - Hodoroaba, Vasile-Dan ED - Unger, Wolfgang ED - Shard, A. G. T1 - Characterization of nanoparticles - Measurement processes for nanoparticles N2 - Characterization of Nanoparticles: Measurement Processes for Nanoparticles surveys this fast growing field, including established methods for the physical and chemical characterization of nanoparticles. The book focuses on sample preparation issues (including potential pitfalls), with measurement procedures described in detail. In addition, the book explores data reduction, including the quantitative evaluation of the final result and its uncertainty of measurement. The results of published inter-laboratory comparisons are referred to, along with the availability of reference materials necessary for instrument calibration and method validation. The application of these methods are illustrated with practical examples on what is routine and what remains a challenge. In addition, this book summarizes promising methods still under development and analyzes the need for complementary methods to enhance the quality of nanoparticle characterization with solutions already in operation. KW - Nanoparticles KW - Characterization method KW - Sample preparation KW - Inter-laboratory comparison KW - Standardisation KW - Measurement uncertainty KW - Case studies PY - 2020 SN - 978-0-12-814182-3 DO - https://doi.org/10.1016/C2017-0-00312-9 SP - 1 EP - 566 PB - Elsevier CY - Amsterdam AN - OPUS4-50284 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR ED - Bonse, Jörn ED - Paun, I. A. ED - Heitz, J. ED - Stoian, R. T1 - Special issue: Making light matter N2 - This special issue represents the proceedings of the Symposium L "Making light matter: lasers in material sciences and photonics" held from May 29th to June 2nd 2023 in Strasbourg, France, during the 2023 Spring Meeting of the European MaterialsResearch Society (E-MRS). T2 - 2023 E-MRS Spring Meeting, Symposium L "Making light matter: lasers in material sciences and photonics" CY - Strasbourg, France DA - 29.05.2023 KW - E-MRS Spring Meeting 2023 KW - Laser Processing KW - Material Science KW - Photonics PY - 2024 UR - https://onlinelibrary.wiley.com/toc/18626319/2024/221/15 SN - 1862-6319 VL - 221 IS - 15 SP - 2300478 EP - 2400528 PB - Wiley-VCH CY - Weinheim AN - OPUS4-60949 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -