TY - JOUR A1 - Steinbeck, Christoph A1 - Jung, Nicole A1 - Bach, Felix A1 - Neumann, Steffen A1 - Herres-Pawlis, Sonja A1 - Liermann, Johannes A1 - Koepler, Oliver A1 - Bannwarth, Christoph A1 - Bender, Theo A1 - Bocklitz, Thomas A1 - Boehm, Franziska A1 - Bonatto Minella, Christian A1 - Biedermann, Frank A1 - Brack, Werner A1 - Cunha, Ricardo A1 - Czodrowski, Paul A1 - Eberl, Franziska A1 - Engel, Thomas A1 - Engstfeld, Albert A1 - Fischer, Tillmann G. A1 - Friedrich, Pascal A1 - Glorious, Frank A1 - Golub, Benjamin A1 - Grathwol, Christoph A1 - Haag, Rainer A1 - Hunold, Johannes A1 - Jacob, Christoph A1 - Johannsen, Jochen A1 - Jollife, John A1 - Kast, Stefan A1 - Kettner, Carsten A1 - Kuhn, Stefan A1 - Lanza, Giacomo A1 - Lisec, Jan A1 - Manolikakes, Georg A1 - Mata, Ricardo A1 - Meiler, Jens A1 - Müller, Matthias A1 - Müller-Pfefferkorn, Ralph A1 - Ortmeyer, Jochen A1 - Patterson, Wendy A1 - Pleiss, Jürgen A1 - Riedel, Annalisa A1 - Riedel, Jens A1 - Schatzschneider, Ulrich A1 - Schuster, Leonie A1 - Seeberger, Peter A1 - Seibert, Johann-Nikolaus A1 - Stadler, Peter A1 - Zeitler, Kirsten T1 - Proposal NFDI4Chem 2025-2030 In the National Research Data Infrastructure (NFDI) — Our Vision: All Chemists Publish FAIR Data N2 - The first funding period of NFDI4Chem established a robust foundation for research data management (RDM) in chemistry by promoting FAIR data principles and creating a cohesive infrastructure to capture well-annotated data early in the lab through electronic lab notebooks (ELNs) and making this data available in public repositories. Key achievements include standardised data formats and metadata, a federated repository environment, and improved data visibility and accessibility. Training programs and outreach have significantly increased awareness and adoption of best RDM practices. In the second funding period, the consortium aims to advance these achievements by consolidating this infrastructure, developing a model for its sustainable maintenance and operation, and fostering cultural change for its widespread adoption. Goals include ensuring seamless data workflows from laboratories to open repositories, enhancing interoperability, and supporting innovative research through AI-ready data. The work plan is organised into six task areas (TAs). TA1 (Management) provides leadership and supports all other TAs in achieving their objectives. TA2 (Smart Lab) aims to develop a fully digital research environment, including an ELN as a modular platform. This environment will support data collection, management, storage, analysis, and sharing. Integrating devices and external resources will enable seamless data transfer to repositories. TA3 (Repositories) will consolidate the repository ecosystem. The goal is to integrate repositories into a federated system for better accessibility and interoperability, ensuring long-term data availability and sustainability. TA4 (Metadata, Data Standards, and Publication Standards) focuses on developing and promoting new data and metadata standards in an international community process. This includes applying ontologies to create a semantic foundation for linking research data, making it machine-readable and enabling knowledge graphs. TA5 (Community and Training) is dedicated to fostering a cultural shift towards digital chemistry through continuous engagement, collecting requirements, and providing extensive training and support through workshops and open education resources. It will promote FAIR-compliant machine learning applications, embedding RDM into academic curricula to ensure future scientists are well-versed in these practices. TA6 (Synergies and Cross-Cutting Topics) aims to enhance collaboration across NFDI consortia and beyond. This includes developing ontologies, terminology services, the search service, and other cross-cutting solutions, integrating these developments into existing infrastructure, enabling interdisciplinary data harmonisation and fostering machine learning applications. KW - Research Data Management KW - FAIR KW - Chemistry PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-648540 DO - https://doi.org/10.3897/rio.11.e177037 SN - 2367-7163 VL - 11 SP - 1 EP - 100 PB - Pensoft Publishers AN - OPUS4-64854 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Schiro, G. A1 - Müller, T. A1 - Verch, G. A1 - Sommerfeld, Thomas A1 - Mauch, Tatjana A1 - Koch, Matthias A1 - Grimm, V. A1 - Müller, M.E.H. T1 - The distribution of mycotoxins in a heterogeneous wheat field in relation to microclimate, fungal and bacterial abundance N2 - Aim: To observe the variation in accumulation of Fusarium and Alternaria mycotoxins across a topographically heterogeneous field and tested biotic (fungal and bacterial abundance) and abiotic (microclimate) parameters as explanatory variables. Methods and Results: We selected a wheat field characterized by a diversified topography, to be responsible for variations in productivity and in canopy-driven microclimate. Fusarium and Alternaria mycotoxins where quantified in wheat ears at three sampling dates between flowering and harvest at 40 points. Tenuazonic acid (TeA), alternariol (AOH), alternariol monomethyl ether (AME), tentoxin (TEN), deoxynivalenol (DON), zearalenone (ZEN) and deoxynivalenol-3-Glucoside (DON.3G) were quantified. In canopy temperature, air and soil humidity were recorded for each point with data-loggers. Fusarium spp. as trichothecene producers, Alternaria spp. and fungal abundances were assessed using qPCR. Pseudomonas fluorescens bacteria were quantified with a culture based method. We only found DON, DON.3G, TeA and TEN to be ubiquitous across the whole field, while AME, AOH and ZEN were only occasionally detected. Fusarium was more abundant in spots with high soil humidity, while Alternaria in warmer and drier spots. Mycotoxins correlated differently to the observed explanatory variables: positive correlations between DON accumulation, tri 5 gene and Fusarium abundance were clearly detected. The correlations among the others observed variables, such as microclimatic conditions, varied among the sampling dates. The results of statistical model identification do not exclude that species coexistence could influence mycotoxin production. Conclusions: Fusarium and Alternaria mycotoxins accumulation varies heavily across the field and the sampling dates, providing the realism of landscapescale studies. Mycotoxin concentrations appear to be partially explained by biotic and abiotic variables. Significance and Impact of the Study: We provide a useful experimental design and useful data for understanding the dynamics of mycotoxin biosynthesis in wheat. KW - Alternaria KW - Deoxynivalenol KW - Food Safety KW - Fusarium KW - Pseudomonas fluorescens KW - Tenuazonic acid PY - 2019 DO - https://doi.org/10.1111/jam.14104 SN - 1365-2672 SN - 1364-5072 VL - 126 IS - 1 SP - 177 EP - 190 PB - Wiley AN - OPUS4-47161 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Nirmalananthan-Budau, Nithiya A1 - Behnke, Thomas A1 - Hoffmann, Katrin A1 - Kage, Daniel A1 - Gers-Panther, Charlotte F. A1 - Frank, Walter A1 - Müller, Thomas J. J. A1 - Resch-Genger, Ute T1 - Crystallization and Aggregation-Induced Emission in a Series of Pyrrolidinylvinylquinoxaline Derivatives N2 - Aggregation-induced emission (AIE) has been meanwhile observed for many dye classes and particularly for fluorophores containing propeller-like groups. Herein, we report on the AIE characteristics of a series of four hydrophobic pyrrolidinylvinylquinoxaline (PVQ) derivatives with phenyl, pyrrolyl, indolyl, and methoxythienyl substituents used to systematically vary the torsion angle between this substituent at the quinoxaline C2 position and the planar PVQ moiety. These molecules, which are accessible via four- or five-component one-pot syntheses, were spectroscopically studied in organic solvents and solvent−water mixtures, as dye aggregates, solids, and entrapped in polystyrene particles (PSP). Steady-state and time-resolved fluorescence measurements revealed a strong fluorescence enhancement for all dyes in ethanol−water mixtures of high water content, accompanying the formation of dye aggregates with sizes of a few hundred nm, overcoming polarity and H-bonding-induced fluorescence quenching of the chargetransfer-type emission of these PVQ dyes. The size and shape of these dye aggregates and the size of the AIE effect are controlled by the water content and the substituent-dependent torsion angle that influences the nucleation process and the packing of the molecules during aggregation. Staining of 1 μm-sized carboxy-functionalized PSP with the PVQ dyes resulted also in a considerable increase in the fluorescence quantum yield and lifetime, reflecting the combined influence of the restricted molecular motion and the reduced polarity of the dye microenvironment. KW - Spectroscopy KW - AIE KW - Aggregates KW - Nanoparticle PY - 2018 DO - https://doi.org/10.1021/acs.jpcc.8b01425 SN - 1932-7447 N1 - Geburtsname von Nirmalananthan-Budau, Nithiya: Nirmalananthan, N. - Birth name of Nirmalananthan-Budau, Nithiya: Nirmalananthan, N. VL - 122 IS - 20 SP - 11119 EP - 11127 PB - ACS Publications AN - OPUS4-45176 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Laquai, René A1 - Schaupp, Thomas A1 - Griesche, Axel A1 - Müller, Bernd R. A1 - Kupsch, Andreas A1 - Hannemann, Andreas A1 - Kannengießer, Thomas A1 - Bruno, Giovanni T1 - Quantitative analysis of hydrogen-assisted microcracking in duplex stainless steel through X-ray refraction 3D imaging N2 - While the problem of the identification of mechanisms of hydrogen assisted damage has and is being thoroughly studied, the quantitative analysis of such damage still lacks suitable tools. In fact, while, for instance, electron microscopy yields excellent characterization, the quantitative analysis of damage requires at the same time large field-of-views and high spatial resolution. Synchrotron X-ray refraction techniques do possess both features. In this work, we show how synchrotron X-ray refraction computed tomography (SXRCT) can quantify damage induced by hydrogen embrittlement in a lean duplex steel, yielding results that overperform even those achievable by synchrotron X-ray absorption computed tomography. As already reported in literature, but this time using a non-destructive technique, we show that the hydrogen charge does not penetrate to the center of tensile specimens. By the comparison between virgin and hydrogen-charged specimens, we deduce that cracks in the specimen bulk are due to the rolling process rather than hydrogen-assisted. We show that (micro)cracks propagate from the surface of tensile specimens to the interior with increasing applied strain, and we deduce that a significant crack propagation can only be observed short before rupture. KW - 2101 duplex stainless steel KW - Hydrogen embrittlement KW - Synchrotron radiation KW - X-ray refraction KW - Computed tomography KW - Microcracking PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-542811 DO - https://doi.org/10.1002/adem.202101287 SN - 1438-1656 SP - 1 EP - 10 PB - Wiley-VCH CY - Weinheim AN - OPUS4-54281 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Costabel, S. A1 - Hiller, Thomas A1 - Dlugosch, R. A1 - Kruschwitz, Sabine A1 - Müller Petke, M. T1 - Evaluation of single-sided nuclear magnetic resonance technology for usage in geosciences N2 - Because of its mobility and ability to investigate exposed surfaces, single-sided (SiS) nuclear magnetic resonance (NMR) technology enables new application fields in geosciences. To test and assess its corresponding potential, we compare longitudinal (T1) and transverse (T2) data measured by SiS NMR with those of conventional geoscientific laboratory NMR. We use reference sandstone samples covering a broad range of pore sizes. Our study demonstrates that the lower signal-to-noise ratio of SiS NMR data generally tends to slightly overestimated widths of relaxation time distributions and consequently pore size distributions. While SiS and conventional NMR produce very similar T1 relaxation data, unbiased SiS NMR results for T2 measurements can only be expected for fine material, i.e. clayey or silty sediments and soils with main relaxation times below 0.05s. This limit is given by the diffusion relaxation rate due to the gradient in the primary magnetic field associated with the SiS NMR. Above that limit, i.e. for coarse material, the relaxation data is strongly attenuated. If considering the diffusion relaxation time of 0.2 s in the numerical data inversion process, the information content >0.2s is blurred over a range larger than that of conventional NMR. However, our results show that principle range and magnitudes of the relaxation time distributions are reconstructed to some extent. Regarding these findings, SiS NMR can be helpful to solve geoscientific issues, e.g. to assess the hydro-mechanical properties of the walls of underground facilities or to provide local soil moisture data sets for calibrating indirect remote techniques on the regional scale. The greatest opportunity provided by the SiS NMR technology is the acquisition of profile relaxation data for rocks with significant bedding structures at the µm scale. With this unique feature, SiS NMR can support the understanding and modeling of hydraulic and diffusional anisotropy behavior of sedimentary rocks. KW - Single-sided NMR KW - Geosciences KW - Nuclear magnetic resonance PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-561676 DO - https://doi.org/10.1088/1361-6501/ac9800 SN - 0957-0233 VL - 34 IS - 1 SP - 1 EP - 13 PB - IOP Publishing AN - OPUS4-56167 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Quercetti, Thomas A1 - Ballheimer, Viktor A1 - Droste, Bernhard A1 - Müller, Karsten T1 - Internal cask content collisions during drop test of transport casks for radioactive materials N2 - In transport casks for radioactive materials, significantly large axial and radial gaps between cask and internal content are often present because of certain specific geometrical dimensions of the content (e.g. spent fuel elements) or thermal reasons. The possibility of inner relative movement between content and cask will increase if the content is not fixed. During drop testing, these movements can lead to internal cask content collisions, causing significantly high loads on the cask components and the content itself. Especially in vertical drop test orientations onto a lid side of the cask, an internal collision induced by a delayed impact of the content onto the inner side of the lid can cause high stress peaks in the lid and the lid bolts with the risk of component failure as well as impairment of the leak tightness of the closure system. This paper reflects causes and effects of the phenomenon of internal impact on the basis of experimental results obtained from instrumented drop tests with transport casks and on the basis of analytical approaches. Furthermore, the paper concludes the importance of consideration of possible cask content collisions in the safety analysis of transport casks for radioactive materials under accident conditions of transport. KW - Drop test KW - Cask KW - Internal collision KW - Transport KW - Radioactive material PY - 2013 DO - https://doi.org/10.1179/1746510913Y.0000000032 SN - 1746-5095 SN - 1746-5109 SN - 0957-476X VL - 24 IS - 2 SP - 75 EP - 82 PB - Ramtrans Publ. CY - Ashford AN - OPUS4-31306 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Musolff, André A1 - Quercetti, Thomas A1 - Müller, Karsten A1 - Droste, Bernhard A1 - Gründer, Klaus-Peter T1 - Experimental testing of impact limiters for RAM packages under drop test conditions N2 - In context with new cask designs and their approval procedure, the experimental testing of impact limiters under drop test conditions becomes more and more important in order to assess the damage mechanics behaviour and safety margins for validation reasons. In recent years, various designs of impact limiters have been tested by the Federal Institute for Materials Research and Testing within specific component testing and particularly with regard to type B package design approval procedures. The paper focuses on the experimental realisation of impact limiter tests and presents implemented measurement techniques to determine the amount of deformation and to explain the impact behaviour by means of photogrammetric metrology and three-dimensional fringe projection method, high speed motion analysis and adjusted deceleration measurements. KW - Experimental KW - Drop test KW - Impact limiter KW - Close range photogrammetry PY - 2014 DO - https://doi.org/10.1179/1746510915Y.0000000003 SN - 1746-5095 SN - 1746-5109 SN - 0957-476X VL - 25 IS - 3-4 SP - 133 EP - 138 PB - Ramtrans Publ. CY - Ashford AN - OPUS4-33776 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Quercetti, Thomas A1 - Müller, Karsten A1 - Schubert, Sven T1 - Comparison of experimental results from drop testing of spent fuel package design using full scale prototype model and reduced scale model N2 - This paper presents a comparison between full scale prototype and reduced scale model drop test data in regard to similarity mechanics. Together with a current BAM research project, the paper contributes to the further development of mechanical evaluation methods for safety assessment of RAM transport and storage packages including the transferability of package impact response from reduced scale models to full scale packages. KW - Full scale KW - Reduced scale KW - Drop testing KW - Similarity PY - 2008 DO - https://doi.org/10.1179/174651008X362575 SN - 1746-5095 SN - 1746-5109 SN - 0957-476X VL - 19 IS - 4 SP - 197 EP - 202 PB - Ramtrans Publ. CY - Ashford AN - OPUS4-20135 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Müller, Karsten A1 - Quercetti, Thomas A1 - Melnik, Nauka A1 - Droste, Bernhard T1 - Impact target characterisation of BAM drop test facility N2 - BAM safety related research of containers for radioactive material focuses on advanced mechanical safety assessment methods for verification of the structural integrity and leak tightness under normal conditions of transport and hypothetical accident conditions during transport and storage. An essentially unyielding target with a rigid surface is required for impact tests performed for package approval according to IAEA regulations. In addition to specification of a target, e.g. with a combined mass more than 10 times that of the specimen for drop tests, unyielding target characteristics have been investigated with various package designs and different impact tests. The unyielding target of the BAM drop test facility, a reinforced concrete block together with an embedded and anchored mild steel plate, provides relatively large mass and stiffness with respect to the packages being tested. For monitoring reasons accelerometers and strain gauges are embedded in the concrete block of the foundation at several positions. Additionally, dynamic impact responses like vibrations and rigid body motion can be measured by seismic accelerometers. The mechanical characterisation of the target's rigidity is based on experimental results from various drop tests. Test containers with weights of 181 000 kg, 127 000 kg and 8010 kg hit the target with velocities up to 13·5 m s-1 in the horizontal and vertical drop positions. The rigidity of the impact target can be demonstrated with experimental results confirmed by analytical approaches. Some conclusions can be drawn about experimental testing as well as analytical calculations in order to compare impact effects. KW - Target KW - Unyielding KW - Impact KW - Drop test PY - 2009 DO - https://doi.org/10.1179/174651008X344449 SN - 1746-5095 SN - 1746-5109 SN - 0957-476X VL - 19 IS - 4 SP - 217 EP - 221 PB - Ramtrans Publ. CY - Ashford AN - OPUS4-20136 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Debatin, F. A1 - Thomas, A. A1 - Kelling, A. A1 - Hedin, N. A1 - Bacsik, Z. A1 - Senkovska, I. A1 - Kaskel, S. A1 - Junginger, M. A1 - Müller, H. A1 - Schilde, U. A1 - Jäger, Christian A1 - Friedrich, A. A1 - Holdt, H.-J. T1 - In situ synthesis of an imidazolate-4-amide-5-imidate ligand and formation of a microporous zinc-organic framework with H2-and CO2-storage ability KW - Metal-organic framework KW - Synthesis KW - XRD KW - FTIR KW - NMR KW - Gas sorption KW - Microporous materials KW - N,O ligands KW - Solvothermal synthesis PY - 2010 DO - https://doi.org/10.1002/anie.200906188 SN - 1433-7851 SN - 1521-3773 SN - 0570-0833 VL - 49 IS - 7 SP - 1258 EP - 1262 PB - Wiley-VCH CY - Weinheim AN - OPUS4-21132 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Quercetti, Thomas A1 - Nakagami, M. A1 - Komatsuki, S. A1 - Musolff, André A1 - Müller, Karsten A1 - Droste, Bernhard A1 - Fujisawa, K. T1 - Disposal container safety assessment - drop tests with 'Yoyushindo-disposal' waste container onto concrete target N2 - This paper presents technical details of the drop test performance as well as some experimental results of tests carried out with the Japanese 'Yoyushindo-Disposal' waste container for intermediate depth disposal. The drop test program comprised three single 8 m drop tests at the specimen's corner edge orientation onto a concrete slab. The slab was connected to the unyielding IAEA target of the BAM's 200 t drop test facility. The three tested specimens had masses between 20 000 and 28 000 kg depending on their content mass. The tests were accompanied by various metrology, such as strain and deceleration measurements, optical three-dimensional deformation methods, leak tightness testing and test installation for potential particle release measurements to collect a set of data for establishing a basis for safety assessment. KW - Drop test KW - Disposal container KW - Safety PY - 2010 DO - https://doi.org/10.1179/174650910X12681251630291 SN - 1746-5095 SN - 1746-5109 SN - 0957-476X VL - 21 IS - 3 SP - 132 EP - 141 PB - Ramtrans Publ. CY - Ashford AN - OPUS4-22613 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Seah, M.P. A1 - Spencer, S.J. A1 - Bensebaa, F. A1 - Vickridge, I. A1 - Danzebrink, H. A1 - Krumrey, M. A1 - Gross, Thomas A1 - Österle, Werner A1 - Wendler, E. A1 - Rheinländer, B. A1 - Azuma, Y. A1 - Kojima, I. A1 - Suzuki, N. A1 - Suzuki, M. A1 - Tanuma, S. A1 - Moon, D.W. A1 - Lee, H.J. A1 - Cho, H.M. A1 - Chen, H.Y. A1 - Wee, A. T. S. A1 - Osipowicz, T. A1 - Pan, J.S. A1 - Jordaan, W.A. A1 - Hauert, R. A1 - Klotz, U. A1 - van der Marel, C. A1 - Verheijen, M. A1 - Tamminga, Y. A1 - Jeynes, C. A1 - Bailey, P. A1 - Biswas, S. A1 - Falke, U. A1 - Nguyen, N.V. A1 - Chandler-Horowitz, D. A1 - Ehrstein, J.R. A1 - Muller, D. A1 - Dura, J.A. T1 - Critical review of the current status of thickness measurements for ultrathin SiO2 on Si - Part V: Results of a CCQM pilot study N2 - Results are reported from a pilot study under the Consultative Committee for Amount of Substance (CCQM) to compare measurements of and resolve any relevant measurement issues in, the amount of thermal SiO2 oxide on (100) and (111) orientation Si wafer substrates in the thickness range 1.5 - 8 nm. As a result of the invitation to participate in this activity, 45 sets of measurements have been made in different laboratories using 10 analytical methods: medium-energy ion scattering spectrometry (MEIS), nuclear reaction analysis (NRA), RBS, elastic backscattering spectrometry (EBS), XPS, SIMS, ellipsometry, grazing-incidence x-ray reflectrometry (GIXRR), neutron reflectometry and transmission electron microscopy (TEM). The measurements are made on separate sets of 10 carefully prepared samples, all of which have been characterised by a combination of ellipsometry and XPS using carefully established reference conditions and reference parameters. The results have been assessed against the National Physical Laboratory (NPL) data and all show excellent linearity. The remaining data sets correlate with the NPL data with average root-mean-square scatters of 0.15 nm, half being better than 0.1 nm and a few at or better than 0.05 nm. Each set of data allows a relative scaling constant and a zero thickness offset to be determined. Each method has an inherent zero thickness offset between 0 nm and 1 nm and it is these offsets, measured here for the first time, that have caused many problems in the past. There are three basic classes of offset: water and carbonadeous contamination equivalent to ~1 nm as seen by ellipsometry; adsorbed oxygen mainly from water at an equivalent thickness of 0.5 nm as seen by MEIS, NRA, RBS and possibly GIXRR; and no offset as seen by XPS using the Si 2p peaks. Each technique has a different uncertainty for the scaling constant and consistent results have been achieved. X-Ray photoelectron spectroscopy has large uncertainties for the scaling constant but a high precision and, critically, if used correctly, has zero offset. Thus, a combination of XPS and the other methods allows the XPS scaling constant to be determined with low uncertainty, traceable via the other methods. XPS laboratories returning results early were invited to test a new reference procedure. All showed very significant improvements. The reference attenuation lengths thus need scaling by 0.986 ± 0.009 (at an expansion factor of 2) deduced from the data for the other methods. Several other methods have small offsets and, to the extent that these can be shown to be constant or measurable, then these methods will also show low uncertainty. Recommendations are provided for parameters for XPS, MEIS, RBS and NRA to improve their accuracy. KW - Calibration KW - Ellipsometry KW - GIXRR KW - Interlaboratory study KW - MEIS KW - Neutron reflectometry KW - NRA KW - RBS KW - Silicon dioxide KW - SIMS KW - XPS PY - 2004 DO - https://doi.org/10.1002/sia.1909 SN - 0142-2421 SN - 1096-9918 VL - 36 IS - 9 SP - 1269 EP - 1303 PB - Wiley CY - Chichester AN - OPUS4-5549 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Müller, Karsten A1 - Quercetti, Thomas A1 - Droste, Bernhard T1 - Measurement techniques and preliminary results of drop tests with full scale spent fuel transport and storage casks KW - Drop testing KW - Full scale spent fuel cask KW - Deceleration KW - Strain PY - 2006 SN - 1746-5095 SN - 1746-5109 SN - 0957-476X VL - 17 IS - 4 SP - 191 EP - 195 PB - Ramtrans Publ. CY - Ashford AN - OPUS4-14431 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Abou-Ras, D. A1 - Caballero, R. A1 - Fischer, C.-H. A1 - Kaufmann, C.A. A1 - Lauermann, I. A1 - Mainz, R. A1 - Mönig, H. A1 - Schöpke, A. A1 - Stephan, C. A1 - Streeck, C. A1 - Schorr, S. A1 - Eicke, A. A1 - Döbeli, M. A1 - Gade, B. A1 - Hinrichs, J. A1 - Nunney, T. A1 - Dijkstra, H. A1 - Hoffmann, V. A1 - Klemm, D. A1 - Efimova, V. A1 - Bergmaier, A. A1 - Dollinger, G. A1 - Wirth, Thomas A1 - Unger, Wolfgang A1 - Rockett, A.A. A1 - Perez-Rodriguez, A. A1 - Alvarez-Garcia, J. A1 - Izquierdo-Roca, V. A1 - Schmid, T. A1 - Choi, P.-P. A1 - Müller, M. A1 - Bertram, F. A1 - Christen, J. A1 - Khatri, H. A1 - Collins, R.W. A1 - Marsillac, S. A1 - Kötschau, I. T1 - Comprehensive comparison of various techniques for the analysis of elemental distributions in thin films N2 - The present work shows results on elemental distribution analyses in Cu(In,Ga)Se2 thin films for solar cells performed by use of wavelength-dispersive and energy-dispersive X-ray spectrometry (EDX) in a scanning electron microscope, EDX in a transmission electron microscope, X-ray photoelectron, angle-dependent soft X-ray emission, secondary ion-mass (SIMS), time-of-flight SIMS, sputtered neutral mass, glow-discharge optical emission and glow-discharge mass, Auger electron, and Rutherford backscattering spectrometry, by use of scanning Auger electron microscopy, Raman depth profiling, and Raman mapping, as well as by use of elastic recoil detection analysis, grazing-incidence X-ray and electron backscatter diffraction, and grazing-incidence X-ray fluorescence analysis. The Cu(In,Ga)Se2 thin films used for the present comparison were produced during the same identical deposition run and exhibit thicknesses of about 2 µm. The analysis techniques were compared with respect to their spatial and depth resolutions, measuring speeds, availabilities, and detection limits. KW - Elemental distributions KW - Comparison KW - Depth profiling KW - Chemical mapping KW - Thin films KW - Solar cells KW - Chalcopyrite-type KW - Cu(In,Ga)Se2 PY - 2011 DO - https://doi.org/10.1017/S1431927611000523 SN - 1431-9276 SN - 1435-8115 VL - 17 IS - 5 SP - 728 EP - 751 PB - Cambridge University Press CY - New York, NY AN - OPUS4-24506 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Musolff, André A1 - Quercetti, Thomas A1 - Müller, Karsten A1 - Droste, Bernhard A1 - Komann, Steffen T1 - Drop test program with half scale model CASTOR HAW/TB2 N2 - Federal Institute for Materials Research and Testing (BAM) is the competent authority for mechanical and thermal safety assessment of transport packages for spent fuel and high level waste in Germany. In context with package design approval of the new German high level waste cask CASTOR® HAW28M, BAM performed several drop tests with a half scale model of the CASTOR® HAW/TB2. The cask is manufactured by Gesellschaft für Nuklear Service mbH and was tested under accident transport conditions on the 200 tons BAM drop test facility at the BAM Test Site Technical Safety. For this comprehensive test program, the test specimen CASTOR® HAW/TB2 was instrumented at 21 measurement planes with altogether 23 piezo resistive accelerometers, five temperature sensors and 131 triaxial strain gauges in the container interior and exterior respectively. The strains of four representative lid bolts were recorded by four uniaxial strain gauges per each bolt. Helium leakage rate measurements were performed before and after each test in the above noted testing sequence. The paper presents some experimental results of the half scale CASTOR® HAW/TB2 prototype (14 500 kg) and measurement data logging. It illustrates the extensive instrumentation and analyses that are used by BAM for evaluating the cask performance to the mechanical tests required by regulations. Although some of the quantitative deceleration, velocity and strain values cannot be shown because of confidentially issues, they are provided qualitatively to illustrate the types of measurements and methodologies used at BAM. KW - IAEA drop testing KW - Half scale model KW - Experimental test PY - 2011 DO - https://doi.org/10.1179/1746510911Y.0000000013 SN - 1746-5095 SN - 1746-5109 SN - 0957-476X VL - 22 IS - 3 SP - 154 EP - 160 PB - Ramtrans Publ. CY - Ashford AN - OPUS4-25293 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Droste, Bernhard A1 - Musolff, André A1 - Müller, Karsten A1 - Quercetti, Thomas T1 - Drop and fire testing of spent fuel and HLW transport casks at 'BAM test site technical safety' N2 - BAM, as a competent German government institute for the mechanical and thermal testing of radioactive material transport and storage containers, operates unique drop and fire test facilities for experimental investigations on the open air BAM Test Site Technical Safety. To be able to perform even drop tests with full scale spent fuel or HAW casks (i.e. the German CASTOR cask designs), BAM constructed in 2004 a large drop test facility capable to handle 200 ton test objects, and to drop them onto a steel plate covered unyielding target with a mass of nearly 2600 ton. Drop test campaigns of the 181 ton GNS CONSTOR V/TC, the 129 ton MHI MSF-69BG and a 1:2 scale model of the GNS CASTOR HAW28M (CASTOR HAW/TB2) have been performed since then. The experimental BAM drop testing activities can be supported also by drop testing of smaller packages (up to 2 ton) in an in-house test facility and by dynamic, guided impact testing of package components and material specimen inside a new drop test machine. In May 2008, a new modern fire test facility was put into operation. The facility provides two test stands fired with liquid propane. Testing in every case has to be completed by computational investigations, where BAM operates appropriate finite element modelling on appropriate computer codes, e.g. ABAQUS, LS-DYNA, ANSYS and other analytical tools. KW - Package testing KW - Drop testing KW - Fire testing KW - Regulations PY - 2011 DO - https://doi.org/10.1179/1746510912Y.0000000002 SN - 1746-5095 SN - 1746-5109 SN - 0957-476X VL - 22 IS - 4 SP - 200 EP - 205 PB - Ramtrans Publ. CY - Ashford AN - OPUS4-26691 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Massiot, D. A1 - Müller, D. A1 - Hübert, Thomas A1 - Schneider, M. A1 - Kentgens, A. A1 - Coté, B. A1 - Coutures, J. A1 - Gessner, W. T1 - Double rotation and magic-angle spinning nuclear magnetic resonance study of 27Al: reexamination of the aluminium borate 9Al2O3 · 2B2O3 N2 - 27Al nuclear magnetic resonance spectra of polycrystalline aluminium borate 9Al2O3 · 2B2O3 have been measured in double rotation at 11.7 and 7.0 T and high-speed magic-angle spinning at 7.0, 9.4, 11.7, 14.1 and 17.6 T. Spinning sidebands from the satellite transitions were observed at 7.0 and 14.1 T. Each of the four structural aluminium sites [Al(IV), Al(V)(1), Al(V)(2) and Al(VI)] are observed, characterised and assigned in the spectra. The obtained parameter set gives a fully consistent interpretation in agreement with the crystal structure of the compound. KW - Aluminium KW - Kernresonanz, magnetisch KW - Winkel, magisch KW - Doppelrotation PY - 1995 DO - https://doi.org/10.1016/0926-2040(95)00021-H SN - 0926-2040 SN - 1527-3326 VL - 5 IS - 2 SP - 175 EP - 180 PB - Academ. Press CY - Orlando, Fla. AN - OPUS4-639 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - König, S. A1 - Diersch, R. A1 - Lührmann, A. A1 - Müller, Karsten A1 - Neumann, Martin A1 - Quercetti, Thomas A1 - Droste, Bernhard T1 - Full-Scale Drop Testing of the CONSTOR®, V/TC Package Program, and Preliminary Results KW - Drop test KW - Package KW - Spent fuel cask KW - Transport PY - 2005 SN - 0893-6188 VL - 33 IS - 3 SP - 4 EP - 10 PB - Institute of Nuclear Materials Management CY - Northbrook, Ill. AN - OPUS4-12269 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - König, S. A1 - Diersch, R. A1 - Lührmann, A. A1 - Müller, Karsten A1 - Neumann, Martin A1 - Quercetti, Thomas A1 - Droste, Bernhard T1 - Full-scale Drop Testing of the CONSTOR V/TC Package - Program and Preliminary Results KW - Fallversuche KW - Transportbehälter für radioaktive Stoffe PY - 2005 SN - 0893-6188 VL - 33 IS - 3 SP - 4 EP - 10 PB - Institute of Nuclear Materials Management CY - Northbrook, Ill. AN - OPUS4-6875 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Ried, Peter A1 - Gaber, Martin A1 - Beyer, Katrin A1 - Müller, Ralf A1 - Kipphardt, Heinrich A1 - Kannengießer, Thomas T1 - Thermo Analytic Investigation of Hydrogen Effusion Behavior - Sensor Evaluation and Calibration N2 - The well established carrier gas analysis (CGA) method was used to test different hydrogen detectors comprising a thermal conductivity detector (TCD) and a metal oxide semiconducting (MOx) sensor. The MOx sensor provides high hydrogen sensitivity and selectivity, whereas the TCD exhibits a much shorter response time and a linear hydrogen concentration dependency. Therefore, the TCD was used for quantitative hydrogen concentration measurements above 50?µmol/mol. The respective calibration was made using N2/H2 gas mixtures. Furthermore, the hydrogen content and degassing behaviour of titanium hydride (TiH2-x) was studied. This material turned out to be a potential candidate for a solid sample calibration. Vacuum hot extraction (VHE) coupled with a mass spectrometer (MS) was then calibrated with TiH2-x as transfer standard. The calibration was applied for the evaluation of the hydrogen content of austenitic steel samples (1.4301) and the comparison of CGA-TCD and VHE-MS. KW - Hydrogen KW - Steel KW - Vacuum hot extraction KW - Carrier gas analysis KW - Titanium hydride KW - Gas calibration PY - 2011 DO - https://doi.org/10.1002/srin.201000237 SN - 1611-3683 SN - 0177-4832 VL - 82 IS - 1 SP - 14 EP - 19 PB - Verl. Stahleisen CY - Düsseldorf AN - OPUS4-23202 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Müller, Ralf A1 - Behrens, Harald A1 - Ageo-Blanco, Boris A1 - Reinsch, Stefan A1 - Wirth, Thomas T1 - Foaming Species and Trapping Mechanisms in Barium Silicate Glass Sealants N2 - Barium silicate glass powders 4 h milled in CO2 and Ar and sintered in air are studied with microscopy, total carbon analysis, differential thermal Analysis (DTA), vacuum hot extraction mass spectroscopy (VHE-MS), Fourier-transformed infrared (FTIR) spectroscopy, X-ray photoelectron spectroscopy (XPS), and time-of-flight secondary-ion mass spectrometry (TOF-SIMS). Intensive foaming of powder compacts is evident, and VHE studies prove that foaming is predominantly caused by carbonaceous species for both milling gases. DTA Shows that the decomposition of BaCO3 particles mix-milled with glass powders occurs at similar temperatures as foaming of compacts. However, no carbonate at the glass surface could be detected by FTIR spectroscopy, XPS, and TOF-SIMS after heating to the temperature of sintering. Instead, CO2 molecules unable to rotate identified by FTIR spectroscopy after milling, probably trapped by mechanical dissolution into the glass bulk. Such a mechanism or microencapsulation in cracks and particle aggregates can explain the contribution of Ar to foaming after intense milling in Ar atmosphere. The amount of CO2 molecules and Ar, however, cannot fully explain the extent of foaming. Carbonates mechanically dissolved beneath the surface or encapsulated in cracks and micropores of particle aggregates are therefore probably the major foaming source. KW - Milling KW - Foaming KW - Glass powder KW - Sintering PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-531227 DO - https://doi.org/10.1002/adem.202100445 SN - 1438-1656 VL - 24 IS - 6 SP - 2100445-1 EP - 2100445-13 AN - OPUS4-53122 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Hartmann, Yannic A1 - El Abbassi, Abdelouahad A1 - Mayer, Bernhard A1 - Resch-Genger, Ute A1 - Müller, Thomas J. J. T1 - Ester‐Aroyl‐S,N‐Ketene Acetals with Solid‐State Luminescence: AIEgens from Sequential Three‐Component Desymmetrization N2 - AbstractDi(hetero)aroyl dichlorides are desymmetrized upon sequential reaction with alcohols and 2‐methyl N‐benzyl thiazolium salts within the course of a one‐pot three‐component reaction yielding ester‐substituted aroyl‐S,N‐ketene acetals under mild conditions in good yields. A prerequisite for the concise one‐pot process is the different nucleophilicity of the alcohols and in situ generated S,N‐ketene acetals. The resulting compounds are merocyanines with dominant charge‐transfer absorption bands which are fluorescent in the solid state, but not in solution. In water/ethanol solvent mixtures of increasing water content, the water‐insoluble dyes display typical aggregation‐induced emission (AIE) characteristics. The water fraction inducing AIE as well as the emission color, and fluorescence quantum yield (Φf) of the aggregated dyes can be controlled by the alcohol part of the ester moiety. Encapsulation into polystyrene nanoparticles can lead to a considerable increase of the fluorescence quantum yield Φf to 30% as shown for a representatively chosen dye revealing the highest Φf of 11% within the dye series in the water/ethanol mixtures and enabling the usage of these dyes as fluorescent reporters in aqueous environments. KW - Dye KW - Fluorescence KW - Aggregation KW - Mechanism KW - Signal enhancement KW - Nano KW - Particle KW - Characterization KW - Quantum yield KW - Photophysics KW - Probe KW - Sensor KW - Lifetime KW - Polarity PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-642400 DO - https://doi.org/10.1002/chem.202502071 SN - 0947-6539 SP - 1 EP - 10 PB - Wiley-VCH CY - Weinheim AN - OPUS4-64240 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Denißen, M. A1 - Nirmalananthan-Budau, Nithiya A1 - Behnke, Thomas A1 - Hoffmann, Katrin A1 - Resch-Genger, Ute A1 - Müller, T. J. J. T1 - 3-Piperazinyl propenylidene indolone merocyanines: consecutive three-component synthesis and electronic properties of solid-state luminophores with AIE properties N2 - A series of twelve 3-piperazinyl propenylidene indolone merocyanines was synthesized in a one-pot fashion using a consecutive three-component insertion-coupling-Michael addition sequence. Physicalorganic treatment of the absorption data of a consanguineous series of this library allows semiquantitative Linear Free Energy Relationships (LFERs) to be established and confirmation of the positive Absorption solvatochromicity. All Boc-substituted piperazinyl merocyanines display aggregation induced Emission (AIE), which was corroborated for two solvent systems. In particular, crystallization-induced Emission enhancement (CIEE) induced by ultrasonication could be shown for a model chromophore by confocal laser scanning microscopy (CLSM). KW - Indolone merocyanines KW - AIE KW - CIEE KW - CLSM PY - 2017 DO - https://doi.org/10.1039/c7qm00198c SN - 2052-1537 N1 - Geburtsname von Nirmalananthan-Budau, Nithiya: Nirmalananthan, N. - Birth name of Nirmalananthan-Budau, Nithiya: Nirmalananthan, N. VL - 1 IS - 10 SP - 2013 EP - 2026 AN - OPUS4-43213 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Gers-Panther, C.F. A1 - Fischer, H. A1 - Nordmann, J. A1 - Seiler, T. A1 - Behnke, Thomas A1 - Würth, Christian A1 - Frank, W. A1 - Resch-Genger, Ute A1 - Müller, T.J.J. T1 - Four- and Five-Component Syntheses and Photophysical Properties of Emission Solvatochromic 3‑Aminovinylquinoxalines N2 - 3-Aminovinylquinoxalines are readily accessible from (hetero)aryl glyoxylic acids or heterocyclic π-nucleophiles by consecutive four- and fivecomponent syntheses in the sense of an activation-alkynylation-cyclocondensation-addition sequence or glyoxylation-alkynylation-cyclocondensation-addition sequence in good yields. The title compounds are highly fluorescent with pronounced emission solvatochromicity and protochromic fluorescence quenching. Time-resolved fluorescence spectroscopy furnishes radiative and nonradiative fluorescence decay rates in various solvent polarities. The electronic structure is corroborated by DFT and TD-DFT calculations rationalizing the observed spectroscopic effects. KW - Dye KW - Syntheseis KW - Spectroscopy PY - 2016 DO - https://doi.org/10.1021/acs.joc.6b02581 SN - 0022-3263 VL - 82 SP - 567 EP - 578 PB - ACS Publications AN - OPUS4-39211 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Hoffmann, A. A1 - Lischeid, G. A1 - Koch, Matthias A1 - Lentzsch, P. A1 - Sommerfeld, Thomas A1 - Müller, M.H. T1 - Co-Cultivation of Fusarium, Alternaria, and Pseudomonas on Wheat-Ears Affects Microbial Growth and Mycotoxin Production N2 - Mycotoxigenic fungal pathogens Fusarium and Alternaria are a leading cause of loss in cereal production. On wheat-ears, they are confronted by bacterial antagonists such as pseudomonads. Studies on these groups’ interactions often neglect the infection process’s temporal aspects and the associated priority effects. In the present study, the focus was on how the first colonizer affects the subsequent ones. In a climate chamber experiment, wheat-ears were successively inoculated with two different strains (Alternaria enuissima At625, Fusarium graminearum Fg23, or Pseudomonas simiae Ps9). Over three weeks, microbial abundances and mycotoxin concentrations were analyzed and visualized via Self Organizing Maps with Sammon Mapping (SOM-SM). All three strains revealed different characteristics and strategies to deal with co-inoculation: Fg23, as the first colonizer, suppressed the establishment of At625 and Ps9. Nevertheless, primary inoculation of At625 reduced all of the Fusarium toxins and stopped Ps9 from establishing. Ps9 showed priority effects in delaying and blocking the production of the fungal mycotoxins. The SOM-SM analysis visualized the competitive strengths: Fg23 ranked first, At625 second, Ps9 third. Our findings of species-specific priority effects in a natural environment and the role of the mycotoxins involved are relevant for developing biocontrol strategies. KW - Antagonists KW - Microbe interactions KW - Mycotoxins KW - Priority effect KW - SOM-SM PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-521554 DO - https://doi.org/10.3390/microorganisms9020443 VL - 9 IS - 2 SP - 443 PB - MDPI AN - OPUS4-52155 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Faghani, A. A1 - Gholami, M. F. A1 - Trunk, M. A1 - Müller, J. A1 - Pachfule, P. A1 - Vogl, S. A1 - Donskyi, Ievgen A1 - Li, M. A1 - Nickl, Philip A1 - Shao, J. A1 - Huang, M. R. S. A1 - Unger, Wolfgang A1 - Arenal, R. A1 - Koch, C. T. A1 - Paulus, B. A1 - Rabe, J. P. A1 - Thomas, A. A1 - Haag, R. A1 - Adeli, M. T1 - Metal-Assisted and Solvent-Mediated Synthesis of Two-Dimensional Triazine Structures on Gram Scale N2 - Covalent triazine frameworks are an emerging material class that have shown promising performance for a range of applications. In this work, we report on a metal-assisted and solvent-mediated reaction between calcium carbide and cyanuric chloride, as cheap and commercially available precursors, to synthesize two-dimensional triazine structures (2DTSs). The reaction between the solvent, dimethylformamide, and cyanuric chloride was promoted by calcium carbide and resulted in dimethylamino-s-triazine intermediates, which in turn undergo nucleophilic substitutions. This reaction was directed into two dimensions by calcium ions derived from calcium carbide and induced the formation of 2DTSs. The role of calcium ions to direct the two-dimensionality of the final structure was simulated using DFT and further proven by synthesizing molecular intermediates. The water content of the reaction medium was found to be a crucial factor that affected the structure of the products dramatically. While 2DTSs were obtained under anhydrous conditions, a mixture of graphitic material/2DTSs or only graphitic material (GM) was obtained in aqueous solutions. Due to the straightforward and gram-scale synthesis of 2DTSs, as well as their photothermal and photodynamic properties, they are promising materials for a wide range of future applications, including bacteria and virus incapacitation. KW - XPS KW - Triazine KW - 2D PY - 2020 DO - https://doi.org/10.1021/jacs.0c02399 VL - 142 IS - 30 SP - 12976 EP - 12986 PB - ACS American Chemical Society AN - OPUS4-51203 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Müller, Anja A1 - Heinrich, Thomas A1 - Tougaard, S. A1 - Werner, W. S. M. A1 - Hronek, M. A1 - Kunz, Valentin A1 - Radnik, Jörg A1 - Stockmann, Jörg M. A1 - Hodoroaba, Vasile-Dan A1 - Benemann, Sigrid A1 - Nirmalananthan-Budau, Nithiya A1 - Geißler, Daniel A1 - Sparnacci, K. A1 - Unger, Wolfgang T1 - Determining the thickness and completeness of the shell of polymer core-shell nanoparticles by X-ray photoelectron spectroscopy, secondary ion mass spectrometry, and transmission scanning electron microscopy N2 - Core–shell nanoparticles (CSNPs) have become indispensable in various industrial applications. However, their real internal structure usually deviates from an ideal core–shell structure. To control how the particles perform with regard to their specific applications, characterization techniques are required that can distinguish an ideal from a nonideal morphology. In this work, we investigated poly(tetrafluoroethylene)–poly(methyl methacrylate) (PTFE–PMMA) and poly(tetrafluoroethylene)–polystyrene (PTFE–PS) polymer CSNPs with a constant core diameter (45 nm) but varying shell thicknesses (4–50 nm). As confirmed by transmission scanning electron microscopy (T-SEM), the shell completely covers the core for the PTFE–PMMA nanoparticles, while the encapsulation of the core by the shell material is incomplete for the PTFE–PS nanoparticles. X-ray photoelectron spectroscopy (XPS) was applied to determine the shell thickness of the nanoparticles. The software SESSA v2.0 was used to analyze the intensities of the elastic peaks, and the QUASES software package was employed to evaluate the shape of the inelastic background in the XPS survey spectra. For the first time, nanoparticle shell thicknesses are presented, which are exclusively based on the analysis of the XPS inelastic background. Furthermore, principal component analysis (PCA)-assisted time-of-flight secondary-ion mass spectrometry (ToF-SIMS) of the PTFE–PS nanoparticle sample set revealed a systematic variation among the samples and, thus, confirmed the incomplete encapsulation of the core by the shell material. As opposed to that, no variation is observed in the PCA score plots of the PTFE–PMMA nanoparticle sample set. Consequently, the complete coverage of the core by the shell material is proved by ToF-SIMS with a certainty that cannot be achieved by XPS and T-SEM. KW - XPS KW - T-SEM KW - ToF-SIMS KW - Core-shell nanoparticles PY - 2019 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-499165 DO - https://doi.org/10.1021/acs.jpcc.9b09258 VL - 123 IS - 49 SP - 29765 EP - 29775 PB - American Chemical Society CY - Washington, DC AN - OPUS4-49916 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Heinrich, Thomas A1 - Darlatt, Erik A1 - Lippitz, Andreas A1 - Müller, S. A1 - Schalley, C. A1 - Unger, Wolfgang T1 - Systematic XP and NEXAFS spectroscopy studies of (ter-)pyridineterminated self-assembled monolayers and their addressability for functional molecules N2 - The chemical composition of surfaces functionalized with self-assembled monolayers (SAMs) is an important parameter that determines their performance in a broad range of applications, from immobilizing molecular machines to initiation and growth control of MOFs (Metal-Organic Frameworks). In this article, a critical Survey of XPS (X-ray photoelectron spectroscopy) and NEXAFS (near edge X-ray absorption fine structure) spectroscopy data for pyridine-functionalized monolayers on gold surfaces is presented to compile correlations that have been indiscernible before. Monolayers with aromatic backbones are compared to monolayers with aliphatic backbones. Monolayers with pyridine end-groups are compared to mixed monolayers formed terpyridine-functionalized by molecules end-groups and non-functionalized molecules. Thiol-oxidation during ageing of the SAMs in air is addressed. And finally, the addressability of the SAMs for the deposition of metal-ions and organic molecules is investigated and compared. This work consequently delivers a comprehensive set of spectroscopic data of (ter-)pyridine-terminated SAMs and their performance as template for the preparation of functional multilayers of macrocycles exhibiting a preferential orientation. KW - (ter-)pyridineterminated self-assembled monolayer KW - X-ray Photoelectron Spectroscopy (XPS) KW - NEXAFS PY - 2019 DO - https://doi.org/10.1016/j.elspec.2019.03.011 VL - 233 SP - 28 EP - 37 PB - Elsevier B.V. AN - OPUS4-48018 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kupsch, Andreas A1 - Lange, Axel A1 - Hentschel, Manfred P. A1 - Onel, Yener A1 - Wolk, Thomas A1 - Staude, Andreas A1 - Ehrig, Karsten A1 - Müller, Bernd R. A1 - Bruno, Giovanni T1 - Evaluating porosity in cordierite diesel particulate filter materials, part 1 X-ray refraction N2 - Bi-continuous porous ceramics for filtration applications possess a particularly complicated microstructure, with porosity and solid matter being intermingled. Mechanical, thermal, and filtration properties can only be precisely estimated if the morphology of both solid matter and porosity can be quantitatively determined. Using x-ray absorption and refraction, we quantitatively evaluate porosity and pore orientation in cordierite diesel particulate filter ceramics. Porosity values turn out to agree with mercury intrusion measurements, while pore orientation factors agree with published crystallographic texture data. KW - Porous ceramics KW - Pore orientation KW - X-ray refraction KW - Synchrotron KW - Interface PY - 2013 DO - https://doi.org/10.4416/JCST2013-00021 SN - 2190-9385 VL - 4 IS - 4 SP - 169 EP - 176 PB - Göller CY - Baden-Baden AN - OPUS4-29939 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Onel, Yener A1 - Lange, Axel A1 - Staude, Andreas A1 - Ehrig, Karsten A1 - Kupsch, Andreas A1 - Hentschel, Manfred P. A1 - Wolk, Thomas A1 - Müller, Bernd R. A1 - Bruno, Giovanni T1 - Evaluating porosity in cordierite Diesel particulate filter materials, Part 2 statistical analysis of computed tomography data N2 - Complementary to Part 1 of this work, the bi-continuous microstructure of porous synthetic cordierite ceramics for filtration applications was investigated using 3D x-ray computed tomography at different resolutions. Applying both Fast Fourier Transform and a newly developed image analysis algorithm, we quantitatively evaluated porosity and pore orientation. The statistical approach allows extraction of spatially resolved or average values. Porosity values based on x-ray absorption agree with mercury intrusion measurements, while pore orientation factors agree with x-ray refraction data (Part 1 of this work), and with published crystallographic texture data. KW - Pore orientation KW - Porous ceramics KW - Computed tomography KW - 3D microstructure PY - 2013 DO - https://doi.org/10.4416/JCST2013-00022 SN - 2190-9385 VL - 05 IS - 01 SP - 13 EP - 22 PB - Göller CY - Baden-Baden AN - OPUS4-30379 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Kupsch, Andreas A1 - Lange, Axel A1 - Hentschel, Manfred P. A1 - Onel, Yener A1 - Wolk, Thomas A1 - Staude, Andreas A1 - Ehrig, Karsten A1 - Müller, Bernd R. A1 - Bruno, Giovanni T1 - Evaluating porosity in cordierite diesel particulate filter materials: advanced X-ray techniques and new statistical analysis methods N2 - Bi-continuous porous ceramics for filtration applications possess a particularly complicated microstructure, whereby porosity and solid matter are intermingled. Mechanical, thermal, and filtration properties can only be precisely estimated if the morphology of both solid matter and porosity can be quantitatively determined. Using 3D computed tomography (CT) at different resolutions, and several X-ray refraction-based techniques, we quantitatively evaluated porosity and pore orientation in cordierite diesel particulate filter ceramics.Moreover, applying both Fast Fourier Transform (FFT) and a newly developed image analysis algorithm (directional interface variance analysis, DIVA), we quantitatively evaluated porosity and pore orientation. Both the experimental techniques and the statistical approach allow extraction of spatially resolved or average values.Porosity values from synchrotron computed tomography used turn out to agree with mercury intrusion measurements, while pore orientation factors agree with published crystallographic texture data. This latter point also implies that the study of the pore/matter interface is sufficient to describe the morphological properties of these materials. KW - Diesel particulate filters KW - DIVA Algorithm KW - Pore Orientation KW - Porous Ceramics KW - X-Ray Computed Tomography KW - X-Ray Refraction PY - 2014 DO - https://doi.org/10.4028/www.scientific.net/AST.91.64 SN - 1662-0356 VL - 91 SP - 64 EP - 69 PB - Techna CY - Faenza AN - OPUS4-32069 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - El Abbassi, Abdelouahad A1 - Krenzer, Julius A1 - Petrov, Eugene P. A1 - Biesen, Lukas A1 - Vasylyeva, Vera A1 - Merzenich, Sarah A1 - Resch-Genger, Ute A1 - Müller, Thomas J. J. T1 - Aroyl-S,N-ketene acetal-triarylamine bichromophores – intramolecular energy transfer and dual emission upon induced aggregation and encapsulation N2 - Aroyl-S,N-ketene acetal-based bichromophores are synthesized by a catalytic aryl amination and their photophysics are studied in the solid state, in ethanol–water mixtures inducing aggregation, and after encapsulation in polystyrene nanoparticles. The dye substitution pattern controls aggregation-induced emission and intramolecular energy transfer efficiency, resulting in single-band or dual fluorescence and a strong increase in fluorescence quantum yield upon particle encapsulation. KW - Fluorescence KW - Dye KW - Aggregation KW - Photophysics KW - Enhancement KW - White light emission KW - Energy transfer KW - Quantum yield PY - 2026 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-656700 DO - https://doi.org/10.1039/d5ra09361a SN - 2046-2069 VL - 16 IS - 11 SP - 10255 EP - 10260 PB - Royal Society of Chemistry (RSC) AN - OPUS4-65670 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -