TY - JOUR A1 - Martin-Sanchez, Pedro Maria A1 - Miller, A. Z. A1 - Garcia-Sanchez, A. M. A1 - Martin-Sanchez, Pedro Maria A1 - F.C. Pereira, M. A1 - Afonso, M. J. A1 - Saiz-Jimenez, C. A1 - Spangenberg, J. E. A1 - Jurado, V. A1 - Dionísio, A. A1 - Chaminé, H. I. A1 - Hermosin, B. T1 - Origin of abundant moonmilk deposits in a subsurface granitic environment N2 - Subsurface granitic environments are scarce and poorly investigated. A multi-disciplinary approach was used to characterize the abundant moonmilk deposits and associated microbial communities coating the granite walls of the 16th Century Paranhos spring water tunnel in Porto city (north-west Portugal). It is possible that this study is the first record of moonmilk in an urban subsurface granitic environment. The morphology and texture, mineralogical composition, stable isotope composition and microbial diversity of moonmilk deposits have been studied to infer the processes of moonmilk formation. These whitish secondary mineral deposits are composed of very fine needle fibre calcite crystals with different morphologies and density. Calcified filaments of fungal hyphae or bacteria were distinguished by field emission scanning electron microscopy. Stable isotope analysis revealed a meteoric origin of the needle fibre calcite, with an important contribution of atmospheric CO2, soil respiration and HCO3 − from weathering of Ca-bearing minerals. The DNA-based analyses revealed the presence of micro-organisms related to urban contamination, including Actinobacteria, mainly represented by Pseudonocardia hispaniensis, Thaumarchaeota and Ascomycota, dominated by Cladosporium. This microbial composition is consistent with groundwater pollution and contamination sources of the overlying urban area, including garages, petrol stations and wastewater pipeline leakage, showing that the Paranhos tunnel is greatly perturbed by anthropogenic activities. Whether the identified micro-organisms are involved in the formation of the needle fibre calcite or not is difficult to demonstrate, but this study evidenced both abiotic and biogenic genesis for the calcite moonmilk in this subsurface granitic environment. KW - Biomineralization KW - Carbonate precipitation KW - Granite KW - Moonmilk KW - Needle fibre calcite PY - 2017 UR - https://onlinelibrary.wiley.com/doi/full/10.1111/sed.12431 DO - https://doi.org/10.1111/sed.12431 SN - 1365-3091 VL - 65 IS - 2 SP - 1482 EP - 1503 PB - Wiley AN - OPUS4-43622 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Dreßler, Martin A1 - Röllig, Mathias A1 - Schmidt, Martin A1 - Maturilli, A. A1 - Helbert, J. T1 - Temperature distribution in powder beds during 3D printing N2 - Purpose – This purpose of this paper is to report about the temperature distribution in metal and ceramic powder beds during 3D printing. The differing powders are thoroughly characterized in terms of thermal conductivity, thermal diffusivity, emissivity spectra and density. Design/methodology/approach – The temperature distribution was measured in a 3D printing appliance (Prometal R1) with the help of thin thermocouples (0.25 mm diameter) and thermographic imaging. Temperatures at the powder bed surface as well as at differing powder bed depths were determined. The thermal conductivity, thermal diffusivity and emissivity spectra of the powders were measured as well. Numerical simulation was used to verify the measured temperatures. Findings – The ceramic powder heated up and cooled down more quickly. This finding corresponds well with numerical simulations based on measured values for thermal conductivity and thermal diffusivity as well as emissivity spectra. An observed color change at the metal powder has only little effect on emissivity in the relevant wavelength region. Research limitations/implications – It was found that thermocouple-based temperature measurements at the powder bed surface are difficult and these results should be considered with caution. Practical implications – The results give practitioners valuable information about the transient temperature evolution for two widely used but differing powder systems (metal, ceramic). The paramount importance of powder bed porosity for thermal conductivity was verified. Already small differences in thermal conductivity, thermal diffusivity and hence volumetric heat capacity lead to marked differences in the transient temperature evolution. Originality/value – The paper combines several techniques such as temperature measurements, spectral emissivity measurements, measurements of thermal conductivity and diffusivity and density measurements. The obtained results are put into a numerical model to check the obtained temperature data and the other measured values for consistency. This approach illustrates that determinations of surface temperatures of the powder beds are difficult. KW - Rapid prototypes KW - Printers KW - Heat transfer KW - Powders KW - Ceramics KW - Metals PY - 2010 DO - https://doi.org/10.1108/13552541011065722 SN - 1355-2546 VL - 16 IS - 5 SP - 328 EP - 336 PB - MCB University Press CY - Bradford AN - OPUS4-22002 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Tuma, Dirk A1 - Lozano-Martín, D. A1 - Vega-Maza, D. A1 - Moreau, A. A1 - Martín, M. C. A1 - Segovia, J. J. T1 - Speed of sound data, derived perfect-gas heat capacities, and acoustic virial coefficients of a calibration standard natural gas mixture and a low-calorific H2-enriched mixture N2 - This work aims to address the technical aspects related to the thermodynamic characterization of natural gas mixtures blended with hydrogen for the introduction of alternative energy sources within the Power-to-Gas framework. For that purpose, new experimental speed of sound data are presented in the pressure range between (0.1 up to 13) MPa and at temperatures of (260, 273.16, 300, 325, and 350) K for two mixtures qualified as primary calibration standards: a 11 component synthetic natural gas mixture (11 M), and another low-calorific H2-enriched natural gas mixture with a nominal molar percentage x(H2) = 3 %. Measurements have been gathered using a spherical acoustic resonator with an experimental expanded (k = 2) uncertainty better than 200 parts in 106 (0.02 %) in the speed of sound. The heat capacity ratio as perfect-gas gammapg, the molar heat capacity as perfect-gas Cp,m pg, and the second betaa and third gammaa acoustic virial coefficients are derived from the speed of sound values. All the results are compared with the reference mixture models for natural gas-like mixtures, the AGA8-DC92 EoS and the GERG-2008 EoS, with Special attention to the impact of hydrogen on those properties. Data are found to be mostly consistent within the model uncertainty in the 11 M synthetic mixture as expected, but for the hydrogen-enriched mixture in the limit of the model uncertainty at the highest measuring pressures. KW - Natural gas mixtures KW - Speed-of-sound measurements KW - Equations of state KW - Acoustic virial coefficients PY - 2021 DO - https://doi.org/10.1016/j.jct.2021.106434 SN - 0021-9614 VL - 158 SP - 106434 PB - Elsevier Ltd. CY - Amsterdam AN - OPUS4-52292 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Segovia, J. J. A1 - Tuma, Dirk A1 - Lozano-Martín, D. A1 - Moreau, A. A1 - Martín, M. C. A1 - Vega-Maza, D. T1 - Speed of sound data and acoustic virial coefficients of two binary (N2 + H2) mixtures at temperatures between (260 and 350) K and at pressures between (0.5 and 20) MPa N2 - This work aims to address the technical concerns related to the thermodynamic characterization of gas mixtures blended with hydrogen for the implementation of hydrogen as a new energy vector. For this purpose, new experimental speed of sound measurements have been done in gaseous and supercritical phases of two binary mixtures of nitrogen and hydrogen using the most accurate technique available, i.e., the spherical acoustic resonator, yielding an experimental expanded (k = 2) uncertainty of only 220 parts in 106 (0.022%). The measurements cover the pressure range between (0.5 and 20) MPa, the temperature range between (260 and 350) K, and the composition range with a nominal mole percentage of hydrogen of (5 and 10) mol%, respectively. From the speed of sound data sets, thermophysical properties that are relevant for the characterization of the mixture, namely the second βa and third γa acoustic virial coefficients, are derived. These results are thoroughly compared and discussed with the established reference mixture models valid for mixtures of nitrogen and hydrogen, such as the AGA8-DC92 EoS, the GERG-2008 EoS, and the recently developed adaptation of the GERG-2008 EoS, here denoted GERG-H2_improved EoS. Special attention has been given to the effect of hydrogen concentration on those properties, showing that only the GERG-H2_improved EoS is consistent with the data sets within the experimental uncertainty in most measuring conditions. KW - Speed of sound KW - Acoustic resonance KW - Binary gas mixture PY - 2022 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-551482 DO - https://doi.org/10.1016/j.jct.2022.106791 SN - 0021-9614 VL - 171 SP - 1 EP - 13 PB - Elsevier B. V. CY - Amsterdam AN - OPUS4-55148 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Coutinho, M.L. A1 - Miller, A. Z. A1 - Martin-Sanchez, Pedro Maria A1 - Mirao, J. A1 - Gomez-Bolea, A. A1 - Machado-Moreira, B. A1 - Cerqueira-Alves, L. A1 - Jurado, V. A1 - Saiz-Jimenez,, C. A1 - Lima, A. A1 - Phillips, A. J. L. A1 - Pina, F. A1 - Macedo, M. F. T1 - A multiproxy approach to evaluate biocidal treatments on biodeteriorated majolica glazed tiles N2 - The Fishing House located on the grounds of the Marquis of Pombal Palace, Oeiras, Portugal, was built in the 18th century. During this epoch, Portuguese gardens, such as the one surrounding the Fishing House, were commonly ornamented with glazed wall tile claddings. Currently, some of these outdoor tile panels are covered with dark colored biofilms, contributing to undesirable aesthetic changes and eventually inducing chemical and physical damage to the tile surfaces. Phylogenetic analyses revealed that the investigated biofilms are mainly composed of green algae, cyanobacteria and dematiaceous fungi. With the aim of mitigating biodeterioration, four different biocides (TiO2 nanoparticles, Biotin® T, Preventol® RI 80 and Albilex Biostat®) were applied in situ to the glazed wall tiles. Their efficacy was monitored by visual examination, epifluorescence microscopy and DNA-based analysis. Significant changes in the microbial community composition were observed 4 months after treatment with Preventol® RI 80 and Biotin® T. Although the original community was inactivated after these treatments, an early stage of re-colonization was detected 6 months after the biocide application. TiO2 nanoparticles showed promising results due to their self-cleaning effect, causing the detachment of the biofilm from the tile surface, which remained clean 6 and even 24 months after biocide application. KW - Biofilm KW - Glazed tiles KW - Fungi PY - 2016 DO - https://doi.org/10.1111/1462-2920.13380 SN - 1462-2912 SN - 1462-2920 VL - 18 IS - 12 SP - 4794 EP - 4816 PB - Society for Applied Microbiology and John Wiley & Sons Ltd AN - OPUS4-37380 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Roters, F. A1 - Aslam, A. A1 - Bai, Y. A1 - Büschelberger, M. A1 - Bulert, K. A1 - Butz, A. A1 - Hickel, Tilmann A1 - Jogi, T. A1 - Klitschke, S. A1 - Martin, M. A1 - Meyer, L.-P. A1 - Morand, L. A1 - Nahshon, Y. A1 - Radtke, N. A1 - Saikia, Ujjal A1 - Trondl, A. A1 - Wessel, A. A1 - Zierep, P. A1 - Helm, D. T1 - StahlDigital: Ontology-Based Workflows for the Steel Industry N2 - The innovative strength of the steel industry is based on the mastery of microstructure–property relationships. Digital workflows can largely contribute to this aim by making the complexity of workflows reproducible and their execution user independent. In this work, the tools and workflows developed in the project StahlDigital as part of the German MaterialDigital initiative are presented and application examples are provided. A steel ontology builds the foundation for data collection and storage as well as for the semantic description of experimental and simulation data processing workflows. A dataspace powered by the Dataspace Management System (DSMS) digitally represents such workflows and manages data along them in a Findable, Accessible, Interoperable, Reusable manner aiming to derive new knowledge. Experimental data processed via DSMS can be further evaluated and used as input for simulation workflows. The simulations included in such workflows are run by the workflow system pyiron, which has been semantically extended in StahlDigital for this purpose. KW - Steel KW - Rolling KW - Multiscale simulation KW - Ontology KW - Workflow PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-627187 DO - https://doi.org/10.1002/adem.202402148 SN - 1527-2648 SP - 1 EP - 13 PB - Wiley VHC-Verlag AN - OPUS4-62718 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Nilsson, R. H. A1 - Taylor, A. F. S. A1 - Adams, R. I. A1 - Baschien, C. A1 - Bengtsson-Palme, J. A1 - Cangren, P. A1 - Coleine, C. A1 - Iršėnaitė, R. A1 - Martin-Sanchez, Pedro Maria A1 - Meyer, W. A1 - Oh, S.-Y. A1 - Sampaio, J. P. A1 - Seifert, K. A. A1 - Sklenář, F. A1 - Stubbe, D. A1 - Suh, S.-O. A1 - Summerbell, R. A1 - Svantesson, S. A1 - Unterseher, M. A1 - Visagie, C. M. A1 - Weiss, M. A1 - Woudenberg, J. HC. A1 - Wurzbacher, C. A1 - Van den Wyngaert, S. A1 - Yilmaz, N. A1 - Yurkov, A. A1 - Kõljalg, U. A1 - Abarenkov, K. A1 - Daniel, H.-M. A1 - Glassman, S. I. A1 - Hirooka, H. A1 - Irinyi, L. T1 - Taxonomic annotation of public fungal ITS sequences from the built environment – a report from an April 10–11, 2017 workshop (Aberdeen, UK) N2 - Recent DNA-based studies have shown that the built environment is surprisingly rich in fungi. These indoor fungi – whether transient visitors or more persistent residents – may hold clues to the rising levels of human allergies and other medical and building-related health problems observed globally. The taxo¬nomic identity of these fungi is crucial in such pursuits. Molecular identification of the built mycobiome is no trivial undertaking, however, given the large number of unidentified, misidentified, and technically compromised fungal sequences in public sequence databases. In addition, the sequence metadata required to make informed taxonomic decisions – such as country and host/substrate of collection – are often lacking even from reference and ex-type sequences. Here we report on a taxonomic annotation workshop (April 10–11, 2017) organized at the James Hutton Institute/University of Aberdeen (UK) to facilitate reproducible studies of the built mycobiome. The 32 participants went through public fungal ITS bar¬code sequences related to the built mycobiome for taxonomic and nomenclatural correctness, technical quality, and metadata availability. A total of 19,508 changes – including 4,783 name changes, 14,121 metadata annotations, and the removal of 99 technically compromised sequences – were implemented in the UNITE database for molecular identification of fungi (https://unite.ut.ee/) and shared with a range of other databases and downstream resources. Among the genera that saw the largest number of changes were Penicillium, Talaromyces, Cladosporium, Acremonium, and Alternaria, all of them of significant importance in both culture-based and culture-independent surveys of the built environment. KW - Indoor mycobiome KW - Built environment KW - Molecular identification KW - Fungi KW - Taxonomy KW - Systematics KW - Sequence annotation KW - Metadata KW - Open data PY - 2018 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-438949 DO - https://doi.org/10.3897/mycokeys.28.20887 SN - 1314-4049 SN - 1314-4057 VL - 28 SP - 65 EP - 82 PB - Pensoft Publishers CY - Washington, DC AN - OPUS4-43894 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Liu, Yanchen A1 - Guilherme Buzanich, Ana A1 - Alippi, Paola A1 - Montoro, Luciano A. A1 - Lee, Kug‐Seung A1 - Jeon, Taeyeol A1 - Weißer, Kilian A1 - Karlsen, Martin A. A1 - Russo, Patrícia A. A1 - Pinna, Nicola T1 - FeNb 2 O 6 as a High‐Performance Anode for Sodium‐Ion Batteries Enabled by Structural Amorphization Coupled with NbO 6 Local Ordering N2 - Pseudocapacitance-type transition metal oxides have been extensively investigated as anodes for lithium-ion batteries (LIBs). Currently, they are also gaining attention for sodium-ion batteries (SIBs) due to their low volume change and safety. However, their performance in sodium storage remains limited, primarily due to the larger Na+ ion radius. Here, for the first time, an iron niobate is reported with a columbite structure as a high-performance sodium storage anode. The presence of iron triggers the loss of long-range order through disorder of the FeO6 octahedra local structure, subsequently allowing reversible sodium storage in an amorphous phase. Simultaneously, the formation of short-range ordered zigzag-chain structures within the NbO6 planes creates a “skeleton” that offers abundant active sites for pseudocapacitive ion storage and enhanced ion diffusion pathways. These characteristics of FeNb2O6 make it an effective intercalation host, offering high capacity along with fast Na+ kinetics, as demonstrated through operando and ex situ characterizations. It leads to an applicable reversible capacity (>300 mAh g−1) with a favorable average voltage of ≈0.6 V and excellent rate capability (180.4 mAh g−1 at a current density of 2 A g−1). This study provides insights into the development of intrinsically active transition metal oxides for Na+-ion intercalation. KW - SIB KW - XAS KW - Sodium-ion Batteries PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-654931 DO - https://doi.org/10.1002/adma.202504100 SN - 0935-9648 VL - 37 IS - 46 SP - 1 EP - 13 PB - Wiley AN - OPUS4-65493 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Ordavo, I. A1 - Ihle, S. A1 - Arkadiev, V. A1 - Scharf, Oliver A1 - Soltau, H. A1 - Bjeoumikhov, A. A1 - Bjeoumikhova, S. A1 - Buzanich, Günter A1 - Gubzhokov, R. A1 - Günther, A. A1 - Hartmann, R. A1 - Holl, P. A1 - Kimmel, N. A1 - Kühbacher, M. A1 - Lang, M. A1 - Langhoff, N. A1 - Liebel, A. A1 - Radtke, Martin A1 - Reinholz, Uwe A1 - Riesemeier, Heinrich A1 - Schaller, G. A1 - Schopper, F. A1 - Strüder, L. A1 - Thamm, C. A1 - Wedell, R. T1 - A new pnCCD-based color X-ray camera for fast spatial and energy-resolved measurements N2 - We present a new high resolution X-ray imager based on a pnCCD detector and a polycapillary optics. The properties of the pnCCD like high quantum efficiency, high energy resolution and radiation hardness are maintained, while color corrected polycapillary lenses are used to direct the fluorescence photons from every spot on a sample to a corresponding pixel on the detector. The camera is sensitive to photons from 3 to 40 keV with still 30% quantum efficiency at 20 keV. The pnCCD is operated in split frame mode allowing a high frame rate of 400 Hz with an energy resolution of 152 eV for Mn Kα (5.9 keV) at 450 kcps. In single-photon counting mode (SPC), the time, energy and position of every fluorescence photon is recorded for every frame. A dedicated software enables the visualization of the elements distribution in real time without the need of post-processing the data. A description of the key components including detector, X-ray optics and camera is given. First experiments show the capability of the camera to perform fast full-field X-Ray Fluorescence (FF-XRF) for element analysis. The imaging performance with a magnifying optics (3×) has also been successfully tested. KW - X-ray CCD camera KW - pnCCD KW - Fast X-ray imaging KW - XRF KW - Full-field X-ray fluorescence KW - Elemental analysis KW - High quantum efficiency KW - High energy resolution KW - Polycapillary optics PY - 2011 DO - https://doi.org/10.1016/j.nima.2011.05.080 SN - 0168-9002 SN - 0167-5087 VL - 654 SP - 250 EP - 257 PB - North-Holland CY - Amsterdam AN - OPUS4-24370 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Scharf, Oliver A1 - Ihle, S. A1 - Ordavo, I. A1 - Arkadiev, V. A1 - Bjeoumikhov, A. A1 - Bjeoumikhova, S. A1 - Buzanich, Günter A1 - Gubzhokov, R. A1 - Günther, A. A1 - Hartmann, R. A1 - Kühbacher, M. A1 - Lang, M. A1 - Langhoff, N. A1 - Liebel, A. A1 - Radtke, Martin A1 - Reinholz, Uwe A1 - Riesemeier, Heinrich A1 - Soltau, H. A1 - Strüder, L. A1 - Thünemann, Andreas A1 - Wedell, R. T1 - Compact pnCCD-based X-ray camera with high spatial and energy resolution: a color X-ray camera N2 - For many applications there is a requirement for nondestructive analytical investigation of the elemental distribution in a sample. With the improvement of X-ray optics and spectroscopic X-ray imagers, full field X-ray fluorescence (FF-XRF) methods are feasible. A new device for high-resolution X-ray imaging, an energy and spatial resolving X-ray camera, is presented. The basic idea behind this so-called 'color X-ray camera' (CXC) is to combine an energy dispersive array detector for X-rays, in this case a pnCCD, with polycapillary optics. Imaging is achieved using multiframe recording of the energy and the point of impact of single photons. The camera was tested using a laboratory 30 µm microfocus X-ray tube and synchrotron radiation from BESSY II at the BAMline facility. These experiments demonstrate the suitability of the camera for X-ray fluorescence analytics. The camera simultaneously records 69696 spectra with an energy resolution of 152 eV for manganese Kα with a spatial resolution of 50 µm over an imaging area of 12.7 × 12.7 mm². It is sensitive to photons in the energy region between 3 and 40 keV, limited by a 50 µm beryllium window, and the sensitive thickness of 450 µm of the chip. Online preview of the sample is possible as the software updates the sums of the counts for certain energy channel ranges during the measurement and displays 2-D false-color maps as well as spectra of selected regions. The complete data cube of 264 × 264 spectra is saved for further qualitative and quantitative processing. KW - Color X-ray camera KW - X-ray fluorescence KW - pnCCD KW - Polycapillary optic KW - Synchrotron radiation PY - 2011 DO - https://doi.org/10.1021/ac102811p SN - 0003-2700 SN - 1520-6882 VL - 83 IS - 7 SP - 2532 EP - 2538 PB - American Chemical Society CY - Washington, DC AN - OPUS4-23948 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Ahlawat, A. A1 - Seeger, Stefan A1 - Gottschalk, Martin A1 - Tuch, T. A1 - Wiedensohler, A. T1 - Observation of systematic deviations between Faraday cup aerosol electrometers for varying particle sizes and flow rates - results of the AEROMET FCAE workshop N2 - Condensation particle counters (CPCs) are widely used for the measurement of aerosol particle number concentrations in the size range from approximately 3 nm to 3 μm. For an SI-traceable calibration of the size-dependent counting efficiency, which is advisable on a regular basis and required in several applications, Faraday cup aerosol electrometers (FCAEs) are considered to be a suitable SI-traceable reference.While the volumetric aerosol inlet flowrate and the electrical current measurement in FCAEs can be related to respective SI references, inter-comparison exercises for FCAEs are still performed on a regular basis to establish reliable uncertainty budgets and to further investigate the influences of designs and operational parameters on comparability. This is strongly demanded in the international community of metrological institutes and aerosol calibration facilities around the world, which provide CPC calibrations. In the present study, the performance of FCAEs was investigated,using Ag test aerosol particles with a 30 nm particle diameter by varying the inlet flowrates from 0.5 l min−1 to 4 l min−1. From our experimental results, significant deviations were observed in FCAE currents at sample flowrates smaller than 1.5 l min−1. It is recommended that these discrepancies should be quantified before an FCAE is used for CPC calibration at low sample flowrates and small particle sizes in the sub-30 nm size range. KW - Faraday cup aerosol electrometer KW - CPC calibration KW - Inter-comparison KW - Aerosol measurement instruments PY - 2021 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-531315 DO - https://doi.org/10.1088/1681-7575/ac0710 SN - 1681-7575 SN - 0026-1394 VL - 58 IS - 5 SP - 1 EP - 8 PB - Institute of Physics (IOP) CY - Bristol, UK AN - OPUS4-53131 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Gómez-Fernández, S. A1 - Günther, Martin A1 - Schartel, Bernhard A1 - Corcuera, M. A. A1 - Eceiza, A. T1 - Impact of the combined use of layered double hydroxides, lignin and phosphorous polyol on the fire behavior of flexible polyurethane foams N2 - Flexible polyurethane foams with densities of 40 ± 2 kg m−3 were prepared by combining different ecofriendly fillers such as layered double hydroxides (LDH) and kraft lignin (a byproduct of the pulp and paper industry) with a phosphorous polyol (E560) in order to study their effect on the mechanical performance and fire behavior of the foams. Two series of foams were prepared, some containing lignin or LDH separately, and some with a combination of both: one of the series was prepared without E560 (0E foam series) and the other with 5 parts per hundred of E560 polyol (5E series). The use of fillers resulted in increased viscosity of the reactive mixture, requiring higher blowing agent content in order to hold the density of the foams constant. It was observed that urea phase segregation was favored in the series of 0E foams due to their lower viscosity than the 5E series. This had consequent effects on the resilience, compression force deflection and compression set of these foams. In terms of fire behavior it was observed that while the limiting oxygen index decreased, cone calorimeter results showed that the combination of lignin, LDH and E560 decreased the heat release of the foams. In addition, the combination of fillers and E560 contributed to increase the viscosity of the pyrolysis products, preventing the dripping of the molten polymer, which is a key factor in flame propagation towards adjacent objects in fire scenarios. KW - Ligning KW - Foam KW - Flexible polyurethane foam KW - Flame retardant PY - 2018 SN - 0926-6690 VL - 125 SP - 346 EP - 359 PB - Elsevier B.V. AN - OPUS4-45971 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Martin, T. A1 - Zimmermann, E. A1 - Klitzsch, N. A1 - Hördt, A. A1 - Huisman, J. A. A1 - Radic, T. A1 - Kruschwitz, Sabine T1 - Round-robin test of SIP laboratory measurements using electrical test networks N2 - This study presents the results of an interlaboratory test designed to evaluate the accuracy of spectral induced polarization (SIP) measurements using controlled electrical test networks. The study, conducted in Germany since 2006, involved 12 research institutes, six different impedance measurement devices and four types of electrical test networks specifically designed to evaluate phase shift errors in SIP measurements. The test networks, with impedances ranging from 100 to 150 kΩ, represent high-impedance samples with different phase characteristics, and pose the measurement challenges typical of such samples, including high contact impedances and parasitic capacitances. Four key findings emerged from the study: (1) Impedance measurements across all devices showed deviations within 1 per cent over a wide frequency range (0.001–1000 Hz); (2) phase errors remained below 1 mrad up to 100 Hz for most devices, but increased at higher frequencies due to parasitic capacitances and electromagnetic coupling effects; (3) lab-specific instruments have lower phase errors than field instruments when used in a laboratory environment, primarily due to the effects of long cables and too low input impedances of the field instruments; and (4) short cables and driven shielding technology effectively minimized parasitic capacitance and improved measurement accuracy. The study highlights the usefulness of test networks in assessing the accuracy of SIP measurements and raises awareness of the various factors influencing the quality of SIP data. KW - Induced polarization KW - Electrical properties KW - Electrical resistivity tomography (ERT) PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-631522 DO - https://doi.org/10.1093/gji/ggaf153 SN - 0956-540X VL - 242 IS - 1 SP - 1 EP - 13 PB - Oxford University Press (OUP) AN - OPUS4-63152 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Martin, S. A1 - Walnsch, A. A1 - Nolze, Gert A1 - Leineweber, A. A1 - Léaux, F. A1 - Scheuerlein, C. T1 - The crystal structure of (Nb0.75Cu0.25)Sn-2 in the Cu-Nb-Sn system N2 - During the processing of superconducting Nb3Sn wire, several intermediate intermetallic phases including a previously encountered Cu-Nb-Sn phase show up. The yet unknown crystal structure of this phase is now identified by a combination of different experimental techniques and database search to be of the hexagonal NiMg2 type with a proposed composition of about (Nb0.75Cu0.25)Sn2. The structure determination started from an evaluation of the lattice parameters from EBSD Kikuchi patterns from quenched material suggesting hexagonal or orthorhombic symmetry. A database search then led to the hexagonal NiMg2 type structure, the presence of which was confirmed by a Rietveld analysis on the basis of high energy synchrotron X-ray powder diffraction data. Assuming a partial substitution of Nb in orthorhombic NbSn2 by Cu, the change of the valence electron concentration provokes a structural transformation from the CuMg2 type for NbSn2 to the NiMg2 type for (Nb0.75Cu0.25)Sn2. In the previous literature the (Nb0.75Cu0.25)Sn2 phase described here has occasionally been referred to as Nausite. KW - Electron backscatter diffraction KW - X-ray diffraction KW - Intermetallic compound KW - Structure solution KW - Superconductor PY - 2017 DO - https://doi.org/10.1016/j.intermet.2016.09.008 SN - 0966-9795 SN - 1879-0216 VL - 80 SP - 16 EP - 21 PB - Elsevier Ltd. AN - OPUS4-37874 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Bentrup, U. A1 - Radnik, J. A1 - Armbruster, U. A1 - Martin, A. A1 - Leiterer, Jork A1 - Emmerling, Franziska A1 - Brückner, A. T1 - Linking simultaneous in situ WAXS/SAXS/Raman with Raman/ATR/UV-vis spectroscopy: comprehensive insight into the synthesis of molybdate catalyst precursors N2 - A new setup is presented which enables simultaneous wide- and small-angle X-ray scattering (WAXS/SAXS) and Raman spectroscopic experiments during the synthesis of Mo-based mixed oxide catalyst precursors at the µ-spot beamline at the Berliner Elektronenspeicherring-Gesellschaft für Synchrotronstrahlung (BESSY). Furthermore, we report about the separate monitoring of the same reactions under comparable conditions by simultaneous combined ATR/UV–vis/Raman spectroscopic measurements. For testing the performance of both experimental setups two syntheses were described comprising the precipitation of metal molybdates by mixing solutions of metal nitrates and ammonium heptamolybdate. Additionally, the effect of H3PO4 admixture on precipitation was investigated. The combined evaluation of spectroscopic and WAXS/SAXS data allows the discrimination between different molybdate species appearing in solution and precipitate. Furthermore, these molybdate species could be assigned to separate phases of different crystallinity. KW - In situ KW - WAXS/SAXS KW - Raman KW - ATR KW - UV-vis KW - Mixed oxide catalyst KW - Synthesis PY - 2009 DO - https://doi.org/10.1007/s11244-009-9309-y SN - 1022-5528 VL - 52 IS - 10 SP - 1350 EP - 1359 PB - Springer Science + Business Media CY - Dordrecht AN - OPUS4-19794 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Szymoniak, Paulina A1 - Kolmangadi, Mohamed A. A1 - Böhning, Martin A1 - Frick, B. A1 - Apple, M. A1 - Mole, R. A. A1 - De Souza, N. R. A1 - Zorn, R. A1 - Schönhals, Andreas T1 - Confined Segmental Diffusion in Nanophase Separated Janus Polynorbornenes as Investigated by Quasielastic Neutron Scattering N2 - A combination of neutron time-of-flight and neutron backscattering spectroscopy was used to investigate the molecular dynamics of Janus polynorbornenes (Janus poly(tricyclononenes)) on a microscopic level. These Janus polynorbornenes, denoted as PTCNSiOR, have a semirigid backbone with −Si(OR)3 side groups attached to it. R represents the length of the alkyl side chain. Here side chain lengths of R = 3 (propyl) and R = 8 (octyl) were considered. It is worth mentioning that these polymers have some potential as active layers in gas separation membranes, especially for the separation of higher hydrocarbons. The combination of time-of-flight and backscattering will ensure a reasonably broad time window for analysis where the incoherent intermediate scattering function SInc(q,t) is considered. Previously, it was shown by X-ray investigations that the system undergoes a nanophase separation into alkyl side chain-rich domains surrounded by a backbone-rich matrix. For PTCNSiOPr (R = 3), the alkyl side-chain-rich domains are truly isolated in the backbone-rich matrix, whereas for PTCNSiOOc (R = 8) these domains percolate through the matrix. Further, it was also previously shown that the alkyl side-chain-rich domains undergo a glass transition. The advantage of neutron scattering experiments discussed here is that besides temporal also spatial information is obtained which will allow conclusions to be drawn about the type of molecular fluctuations. At the lowest measured temperature, the decay in Sinc(q,t) is due to the methyl group rotation. The methyl group dynamics is analyzed in terms of a modified jump-diffusion in a 3-fold potential and yields to a reasonable fraction of hydrogens which contribute to the methyl group rotation. At higher temperatures, the decay in SInc(q,t) is due to both the methyl group rotation and the segmental dynamics in the alkyl side-chain-rich domains. The segmental diffusion is modeled by a sublinear diffusion. For the analysis of the scattering function SInc(q,t) of PTCNSiOPr an elastic scattering due to the immobilized backbone-rich matrix must be taken into account. The analysis reveals that the segmental dynamics is confined by the finite size of alkyl chain-rich domains and that it is intrinsically heterogeneous in nature. Both effects are more pronounced for PTCNSiOPr in comparison to those of PTCNSiOOc. KW - Polynorbornene KW - Quasielastic Neutron Scattering PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-608712 DO - https://doi.org/10.1021/acs.macromol.4c01045 SP - 1 EP - 14 PB - ACS Publications AN - OPUS4-60871 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Resch-Genger, Ute A1 - Pilch, A. A1 - Würth, Christian A1 - Kaiser, Martin A1 - Wawrzynczyk, D. A1 - Kurnatowska, M. A1 - Arabasz, S. A1 - Prorok, K. A1 - Samoc, M. A1 - Strek, W. A1 - Bednarkiewicz, A. T1 - Shaping luminescent properties of Yb3+ and Ho3+ co-doped upconverting core-shell ß-NaYF4 nanoparticles by dopant distribution and spacing N2 - At the core of luminescence color and lifetime Tuning of rare earth doped upconverting nanoparticles (UCNPs), is the understanding of the Impact of the particle architecture for commonly used sensitizer (S) and activator (A) Ions. In this respect, a series of core@Shell NaYF4 UCNPs doped with Yb3+ and Ho3+ ions are presented here, where the same dopant concentrations are distributed in different particle architectures following the scheme: YbHo core and YbHo@..., ...@YbHo, Yb@Ho, Ho@Yb, YbHo@Yb, and Yb@YbHo core-Shell NPs. As refealed by quantitative steady-state and time-resolved luminescence studies, the relative spatial Distribution of the A and S ions in the UCNPs and their protection from surface quenching has a critical Impact on ther luminescence characteristics. Although the increased amount of Yb3+ Ions boosts UCNP Performance by amplifying the Absorption, the Yb3+ ions can also efficiently dissipate the energy stored in the material through energy Migration to the surface, thereby reducing the Overall energy Transfer Efficiency to the activator ions. The results provide yet another proof that UC Phosphor chemistry combined with materials Engineering through intentional core@shell structures may help to fine-tune the luminescence Features of UCNPs for their specific future applications in biosensing, bioimaging, photovoltaics, and Display technologies. KW - Fluorescence KW - Upconversion KW - NIR KW - Nonlinear KW - Nanoparticle KW - Surface chemistry KW - Quantum yield KW - Liftetime KW - Nanocrystal KW - Lanthanide KW - Ho(III) KW - Yb(III) KW - Mechanism KW - Absolute flourescence KW - Excitation power density dependence PY - 2017 DO - https://doi.org/10.1002/smll.201701635 SN - 1613-6810 VL - 13 IS - 47 SP - 1701635, 1 EP - 13 PB - WILEY-VCH Verlag GmbH & co. KGaA CY - Weinheim AN - OPUS4-43629 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Mans, C. A1 - Simons, C. A1 - Hanning, S. A1 - Janßen, A. A1 - Alber, D. A1 - Radtke, Martin A1 - Reinholz, Uwe A1 - Bühler, A. A1 - Kreyenschmidt, M. T1 - New polymeric candidate reference materials for XRF and LA-ICP-MS - development and preliminary characterization N2 - A set of ten calibration materials based on acrylonitrile-butadiene-styrene terpolymer (ABS) containing the elements Br, Pb, Cd, Cr, and Hg was produced in order to control polymer samples in regard to the restriction on the use of certain hazardous substances (RoHS) directive. The materials were produced with respect to the special demands of X-ray fluorescence analysis (XRF) and inductively coupled plasma mass spectrometry in combination with laser ablation (LA-ICP-MS). The mass fractions of all elements were 0-1500 mg/kg and the materials were produced as granulates and solid discs with a diameter of 40 mm and thicknesses of 1, 2, and 6 mm. It could be shown that the signals measured by XRF strongly depend on the thickness of polymeric samples. Macroscopic homogeneity was assessed with XRF measuring a total of 180 samples. The microscopic homogeneities were determined for a material with average elemental mass fractions with the aid of synchrotron radiation (SR) µ-XRF and LA-ICP-MS. Sufficient macroscopic and microscopic homogeneities for all elements could be achieved. It was observed that organic additives show a better homogeneity than oxides. XRF and LA-ICP-MS were successfully calibrated with the new materials. Limits of detection were in the range of 0.4-22 mg/kg for XRF and 2.3-26.8 mg/kg for LA-ICP-MS. The materials are considered as candidate reference materials (RM) by the Federal Institute of Materials Research and Testing (BAM, Germany). KW - XRF KW - LA.ICP-MS Plastics KW - RoHS KW - CRM PY - 2009 DO - https://doi.org/10.1002/xrs.1120 SN - 0049-8246 VL - 38 IS - 1 SP - 52 EP - 57 PB - Wiley CY - Chichester AN - OPUS4-18681 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Reiche, I. A1 - Muller, K. A1 - Alberic, M. A1 - Scharf, O. A1 - Wahning, A. A1 - Bjeoumikhov, A. A1 - Radtke, Martin A1 - Simon, R. T1 - Discovering vanished paints and naturally formed gold nanoparticles on 2800 years old Phoenician ivories using SR-FF-microXRF with the color X-ray camera N2 - Phoenician ivory objects (8th century B.C., Syria) from the collections of the Badisches Landesmuseum, Karlsruhe, Germany, have been studied with full field X-ray fluorescence microimaging, using synchrotron radiation (SR-FF-microXRF). The innovative Color X-ray Camera (CXC), a full-field detection device (SLcam), was used at the X-ray fluorescence beamline of the ANKA synchrotron facility (ANKA-FLUO, KIT, Karlsruhe, Germany) to noninvasively study trace metal distributions at the surface of the archeological ivory objects. The outstanding strength of the imaging technique with the CXC is the capability to record the full XRF spectrum with a spatial resolution of 48 µm on a zone of a size of 11.9 × 12.3 mm² (264 × 264 pixels). For each analyzed region, 69696 spectra were simultaneously recorded. The principal elements detected are P, Ca, and Sr, coming from the ivory material itself; Cu, characteristic of pigments; Fe and Pb, representing sediments or pigments; Mn, revealing deposited soil minerals; Ti, indicating restoration processes or correlated with Fe sediment traces; and Au, linked to a former gilding. This provides essential information for the assessment of the original appearance of the ivory carvings. The determined elemental maps specific of possible pigments are superimposed on one another to visualize their respective distributions and reconstruct the original polychromy and gilding. Reliable hypotheses for the reconstruction of the original polychromy of the carved ivories are postulated on this basis. KW - SR-FF-microXRF KW - Elemental imaging KW - Ivory KW - Paints KW - Au NPs KW - Egyptian blue KW - Fe PY - 2013 DO - https://doi.org/10.1021/ac4006167 SN - 0003-2700 SN - 1520-6882 VL - 85 IS - 12 SP - 5857 EP - 5866 PB - American Chemical Society CY - Washington, DC AN - OPUS4-30222 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Pogány, A. A1 - Balslev-Harder, D. A1 - Braban, Ch. F. A1 - Cassidy, N. A1 - Ebert, V. A1 - Ferracci, V. A1 - Hieta, T. A1 - Leuenberger, D. A1 - Martin, N. A. A1 - Pascale, C. A1 - Peltola, J. A1 - Persijn, S. A1 - Tiebe, Carlo A1 - Twigg, M. M. A1 - Vaittinen, Olavi A1 - van Wijk, J. A1 - Wirtz, K. A1 - Niederhauser, B. T1 - A metrological approach to improve accuracy and reliability of ammonia measurements in ambient air N2 - The environmental impacts of ammonia (NH3) in ambient air have become more evident in the recent decades, leading to intensifying research in this field. A number of novel analytical techniques and monitoring instruments have been developed, and the quality and availability of reference gas mixtures used for the calibration of measuring instruments has also increased significantly. However, recent inter-comparison measurements show significant discrepancies, indicating that the majority of the newly developed devices and reference materials require further thorough validation. There is a clear need for more intensive metrological research focusing on quality assurance, intercomparability and validations. MetNH3 (Metrology for ammonia in ambient air) is a three-year project within the framework of the European Metrology Research Programme (EMRP), which aims to bring metrological traceability to ambient ammonia measurements in the 0.5–500 nmol mol−1 amount fraction range. This is addressed by working in three areas: (1) improving accuracy and stability of static and dynamic reference gas mixtures, (2) developing an optical transfer standard and (3) establishing the link between high-accuracy metrological standards and field measurements. In this article we describe the concept, aims and first results of the project. KW - Ammonia in ambient air KW - Traceability KW - Reference gas standards KW - Optical transfer standard KW - Validation and testing infrastructure PY - 2016 DO - https://doi.org/10.1088/0957-0233/27/11/115012 SN - 0957-0233 VL - 27 IS - 11 SP - 115012 EP - 115026 PB - IOP Publishing Ltd. AN - OPUS4-39130 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Rauwolf, M. A1 - Turyanskaya, A. A1 - Roschger, A. A1 - Prost, J. A1 - Simon, R. A1 - Scharf, O. A1 - Radtke, Martin A1 - Schoonjans, Tom A1 - de Oliveira Guilherme Buzanich, Ana A1 - Klaushofer, K. A1 - Wobrauschek, P. A1 - Hofstaetter, J. G. A1 - Roschger, P. A1 - Streli, C. T1 - Synchrotron radiation micro X-ray fluorescence spectroscopy of thin structures in bone samples: comparison of confocal and color X-ray camera setups N2 - In the quest for finding the ideal synchrotron-radiation-induced imaging method for the investigation of trace element distributions in human bone samples, experiments were performed using both a scanning confocal synchrotron radiation micro X-ray fluorescence (SR-mXRF) (FLUO beamline at ANKA) setup and a full-field color X-ray camera (BAMline at BESSY-II) setup. As zinc is a trace element of special interest in bone, the setups were optimized for its detection. The setups were compared with respect to count rate, required measurement time and spatial resolution. It was demonstrated that the ideal method depends on the element of interest. Although for Ca (a major constituent of the bone with a low energy of 3.69 keV for its K alpha XRF line) the color X-ray camera provided a higher resolution in the plane, for Zn (a trace element in bone) only the confocal SR-µXRF setup was able to sufficiently image the distribution. KW - Synchrotron KW - BAMline KW - BESSY KW - XRF KW - X-ray Color Camera PY - 2017 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-391944 DO - https://doi.org/10.1107/S1600577516017057 SN - 1600-5775 VL - 24 SP - 307 EP - 311 PB - International Union of Crystallography AN - OPUS4-39194 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Steglich, Patrick A1 - Paul, Martin A1 - Mai, C. A1 - Böhme, A. A1 - Bondarenko, S. A1 - Weller, Michael G. A1 - Mai, A. T1 - A monolithically integrated microfluidic channel in a silicon-based photonic-integrated-circuit technology for biochemical sensing N2 - In this work, a cost-effective optofluidic system is proposed and preliminary experimental results are presented. A microfluidic channel monolithically integrated into a photonic integrated circuit technology is used in conjunction with a cyclic olefin copolymer (COC) substrate to provide fluidic in- and output ports. We report on initial experimental results as well as on the simple and cost-effective fabrication of this optofluidic system by means of micro-milling. KW - Biosensors KW - Biophotonics KW - Optical sensors KW - Photonic sensors KW - Ring resonators KW - Silicon photonics KW - Lab-on-a-chip KW - Microfluidics KW - Chip KW - Biochip PY - 2021 DO - https://doi.org/10.1117/12.2588791 VL - 11772 SP - 1 EP - 5 PB - SPIE AN - OPUS4-53559 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Gabitov, R.I. A1 - Schmitt, A.K. A1 - Rosner, Martin A1 - McKeegan, K.D. A1 - Gaetani, G.A. A1 - Cohen, A.L. A1 - Watson, E.B. A1 - Harrison, T.M. T1 - In situ delta7Li, Li/Ca, and Mg/Ca analyses of synthetic aragonites N2 - In situ secondary ion mass spectrometry (SIMS) analyses of δ7Li, Li/Ca, and Mg/Ca were performed on five synthetic aragonite samples precipitated from seawater at 25°C at different rates. The compositions of δ7Li in bulk aragonites and experimental fluids were measured by multicollector inductively coupled plasma–mass spectrometry (MC-ICP-MS). Both techniques yielded similar δ7Li in aragonite when SIMS analyses were corrected to calcium carbonate reference materials. Fractionation factors α7Li/6Li range from 0.9895 to 0.9923, which translates to a fractionation between aragonite and fluid from -10.5‰ to -7.7‰. The within-sample δ7Li range determined by SIMS is up to 27‰, exceeding the difference between bulk δ7Li analyses of different aragonite precipitates. Moreover, the centers of aragonite hemispherical bundles (spherulites) are enriched in Li/Ca and Mg/Ca relative to spherulite fibers by up to factors of 2 and 8, respectively. The Li/Ca and Mg/Ca ratios of spherulite fibers increase with aragonite precipitation rate. These results suggest that precipitation rate is a potentially important consideration when using Li isotopes and elemental ratios in natural carbonates as a proxy for seawater composition and temperature. KW - Lithium KW - Isotope KW - Aragonite KW - Rate KW - SIMS KW - Magnesium PY - 2011 DO - https://doi.org/10.1029/2010GC003322 SN - 1525-2027 VL - 12 IS - 3 (Technical Brief) SP - 1 EP - 16 CY - Washington, DC, USA AN - OPUS4-23312 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Chan, George C.-Y. A1 - Hieftje, Gary M. A1 - Omenetto, Nicoló A1 - Axner, Ove A1 - Bengtson, Arne A1 - Bings, Nicolas H. A1 - Blades, Michael W. A1 - Bogaerts, Annemie A1 - Bolshov, Mikhail A. A1 - Broekaert, José A.C. A1 - Chan, WingTat A1 - Costa-Fernández, José M. A1 - Crouch, Stanley R. A1 - De Giacomo, Alessandro A1 - D’Ulivo, Alessandro A1 - Engelhard, Carsten A1 - Falk, Heinz A1 - Farnsworth, Paul B. A1 - Florek, Stefan A1 - Gamez, Gerardo A1 - Gornushkin, Igor B. A1 - Günther, Detlef A1 - Hahn, David W. A1 - Hang, Wei A1 - Hoffmann, Volker A1 - Jakubowski, Norbert A1 - Karanassios, Vassili A1 - Koppenaal, David W. A1 - Kenneth Marcus, R. A1 - Noll, Reinhard A1 - Olesik, John W. A1 - Palleschi, Vincenzo A1 - Panne, Ulrich A1 - Pisonero, Jorge A1 - Ray, Steven J. A1 - Resano, Martín A1 - Russo, Richard E. A1 - Scheeline, Alexander A1 - Smith, Benjamin W. A1 - Sturgeon, Ralph E. A1 - Todolí, José-Luis A1 - Tognoni, Elisabetta A1 - Vanhaecke, Frank A1 - Webb, Michael R. A1 - Winefordner, James D. A1 - Yang, Lu A1 - Yu, Jin A1 - Zhang, Zhanxia T1 - Landmark Publications in Analytical Atomic Spectrometry: Fundamentals and Instrumentation Development N2 - The almost-two-centuries history of spectrochemical analysis has generated a body of literature so vast that it has become nearly intractable for experts, much less for those wishing to enter the field. Authoritative, focused reviews help to address this problem but become so granular that the overall directions of the field are lost. This broader perspective can be provided partially by general overviews but then the thinking, experimental details, theoretical underpinnings and instrumental innovations of the original work must be sacrificed. In the present compilation, this dilemma is overcome by assembling the most impactful publications in the area of analytical atomic spectrometry. Each entry was proposed by at least one current expert in the field and supported by a narrative that justifies its inclusion. The entries were then assembled into a coherent sequence and returned to contributors for a round-robin review. KW - Analytical atomic spectrometry KW - Spectroscopy KW - Instrumental analysis PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-621588 DO - https://doi.org/10.1177/00037028241263567 SN - 1943-3530 VL - 78 SP - 1 EP - 456 PB - Sage CY - London AN - OPUS4-62158 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Williams, S. H. A1 - Hilger, A. A1 - Kardjilov, N. A1 - Manke, I. A1 - Strobl, M. A1 - Douissard, P.A. A1 - Martin, T. A1 - Riesemeier, Heinrich A1 - Banhart, J. T1 - Detection system for microimaging with neutrons N2 - A new high-resolution detector setup for neutron imaging has been developed based on infinity-corrected optics with high light collection, combined with customized mounting hardware. The system can easily be installed, handled and fitted to any existing facility, avoiding the necessity of complex optical systems or further improved electronics (CCD). This is the first time optical magnification higher than 1:1 has been used with scintillator-based neutron detectors, as well as the first implementation of infinity corrected optics for neutron imaging, achieving the smallest yet reported effective pixel size of 3.375 µm. A novel transparent crystal scintillator (GGG crystal) has been implemented with neutrons for the first time to overcome limitations of traditional powder scintillators (Li6/ZnS, Gadox). The standardized procedure for resolution measurements with the Modulation Transfer Function (MTF) is summarized to facilitate comparison between instruments and facilities. Using this new detector setup, a resolution of 14.8 µm with a field of view of 6 mm × 6 mm has been achieved while maintaining reasonable count times. These advances open a wide range of new possible research applications and allow the potential for additional future developments. KW - Instrumentation for neutron sources KW - Neutron radiography KW - Neutron detectors (cold, thermal, fast neutrons) PY - 2012 DO - https://doi.org/10.1088/1748-0221/7/02/P02014 SN - 1748-0221 VL - 7 IS - P02014 SP - 1 EP - 26 PB - Inst. of Physics Publ. CY - London AN - OPUS4-26433 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Nowak, S.H. A1 - Bjeoumikhov, A. A1 - Von Borany, J. A1 - Buchriegler, J. A1 - Munnik, F. A1 - Petric, M. A1 - Renno, A.D. A1 - Radtke, Martin A1 - Reinholz, Uwe A1 - Scharf, O. A1 - Strüder, L. A1 - Wedell, R. A1 - Ziegenrücker, R. T1 - Examples of XRF and PIXE imaging with few microns resolution using SLcam® a color X-ray camera N2 - We present results of recent development of the color X-ray camera, type SLcam®, allowing detection of X-ray images with few microns resolution. Such spectral resolution is achieved with the use of high-quality polycapillary optics combined with sub-pixel resolution. Imaging of Siemens star resolution test chart reveals that the resolution limit of SLcam® can go down to nearly 5µm. Several real sample examples of measurements carried out at the laboratory, synchrotron, and particle-induced X-ray emission beamlines are shown. This is the first time SLcam® is used as particle-induced X-ray emission detector. KW - X-ray KW - Color X-ray camera KW - CXC KW - Synchrotron radiation KW - BESSY KW - BAMline PY - 2015 DO - https://doi.org/10.1002/xrs.2590 SN - 0049-8246 VL - 44 IS - 3 SP - 135 EP - 140 PB - Wiley & Sons, Ltd. CY - Chichester AN - OPUS4-33170 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Nowak, S.H. A1 - Bjeoumikhov, A. A1 - Von Borany, J. A1 - Buchriegler, J. A1 - Munnik, F. A1 - Petric, M. A1 - Radtke, Martin A1 - Renno, A.D. A1 - Reinholz, Uwe A1 - Scharf, O. A1 - Wedell, R. T1 - Sub-pixel resolution with a color X-ray camera N2 - The color X-ray camera SLcam® is a full-field, single photon detector providing scanning-free, energy and spatially resolved X-ray imaging. Spatial resolution is achieved with the use of polycapillary optics guiding X-ray photons from small regions on a sample to distinct energy dispersive pixels on a charged-coupled device detector. Applying sub-pixel resolution, signals from individual capillary channels can be distinguished. Therefore, the SLcam® spatial resolution, which is normally limited to the pixel size of the charge-coupled device, can be improved to the size of individual polycapillary channels. In this work a new approach to a sub-pixel resolution algorithm comprising photon events also from the pixel centers is proposed. The details of the employed numerical method and several sub-pixel resolution examples are presented and discussed. KW - Color X-ray camera KW - Sub pixel analysis PY - 2015 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-334948 DO - https://doi.org/10.1039/c5ja00028a SN - 0267-9477 SN - 1364-5544 SP - 1890 EP - 1897 PB - Royal Society of Chemistry CY - London AN - OPUS4-33494 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Günther, Martin A1 - Lorenzetti, A. A1 - Schartel, Bernhard T1 - From Cells to Residues: Flame-Retarded Rigid Polyurethane Foams N2 - Rigid polyurethane foams (RPUFs) exhibit short times to ignition as well as rapid flame spread and are therefore considered to be hazardous materials. This paper focuses on the fire phenomena of RPUFs, which were investigated through a multimethodological approach. Water-blown polyurethane (PUR) foams without flame retardants (FRs) as well as waterblown PUR foams containing triethyl phosphate as a gas phase-active FR were examined. The aim of this study is to clarify the influence of the FR on the fire phenomena during combustion of the foams. Additionally, materials’ densitieswere varied to range from 30 to 100 kg/m3. Thermophysical properties were studied bymeans of thermogravimetry; fire behavior and flammability were investigated via cone calorimeter and limiting Oxygen index, respectively. During the cone calorimeter test, the temperature development inside the burning specimens was monitored with thermocouples, and cross sections of quenched specimens were examined visually, giving insight into the morphological changes during combustion. The present paper delivers a comprehensive study, illuminating phenomena occurring during foam combustion and the influence of a FR active in the gas phase. The superior fire performance of flameretarded PUR foams was found to be based on flame inhibition, and on increased char yield leading to a more effective protective layer. It was proven that in-depth absorption of radiation is a significant factor for estimation of time to ignition. Cross sections investigated with the electron scanning microscope exhibited a pyrolysis front with an intact foam structure underneath. The measurement of temperature development inside burning specimens implied a shift of burning behavior towards that of non-cellular materials with rising foam density. KW - Polyurethane KW - Rigid foams KW - Fire behavior PY - 2020 DO - https://doi.org/10.1080/00102202.2019.1634060 SN - 0010-2202 SN - 1563-521X VL - 192 IS - 12 SP - 2209 EP - 2237 PB - Taylor & Francis AN - OPUS4-51483 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Wu, W. A1 - Wei, A. A1 - Huang, W. A1 - Zhao, Peng A1 - Schmidt, Martin A1 - Krause, Ulrich A1 - Wu, Dejian T1 - Experimental and theoretical study on the inhibition effect of CO2/N2 blends on the ignition behavior of carbonaceous dust clouds N2 - Gaseous inhibitors are used in many industries for the explosion prevention of combustible dusts, mitigating the potential hazard to humans, properties and environments. This work experimentally and theoretically studied the inerting effect of gaseous inhibitors on the ignition process of dust clouds in O2/N2/CO2 atmospheres, with an emphasis on the role of the CO2/N2 ratio. 10 different combustible carbonaceous dusts were selected, including grain dust, biomass dust and coal dust. Experimental results showed that the inhibition effect of CO2/N2 is closely related to the ignition mechanism of dust clouds. Specifically, a higher ratio of CO2/N2 yields a stronger inhibition effect on the ignition process of dust samples with relatively low volatile matter contents predominated by heterogeneous ignition. In addition, two novel steady-state ignition mechanism models were developed to interpret the experimental observations. Maxwell-Stefan equations were used to describe the diffusivity in the ternary O2/N2/CO2 gas mixtures. The analytical results were in good agreement with the experimental data of the minimum ignition temperature of dust cloud (MITC) in oxygen-lean atmospheres. The mechanism modelling can be used to estimate the critical ignition temperature of all carbonaceous dust clouds with a wide range of volatile matter content under different inert atmospheres, which will provide a reference for the explosion hazard assessment of dust posed by a hot surface in the process industries. KW - CO2/N2 ratio KW - Inerting effect KW - Volatile matter content KW - MITC KW - Mechanism model PY - 2021 DO - https://doi.org/10.1016/j.psep.2021.07.005 SN - 0957-5820 VL - 153 SP - 1 EP - 10 PB - Elsevier B.V. AN - OPUS4-53662 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Wu, Dejian A1 - Tan, X. A1 - Wei, A. A1 - Duan, Q. A1 - Huang, W. A1 - Schmidt, Martin T1 - Ignition temperature and mechanism of carbonaceous dust clouds: The roles of volatile matter, CH4 addition, O2 mole fraction and diluent gas N2 - Minimum ignition temperature of dust clouds (MITC) was studied experimentally and theoretically in different atmospheres. Three carbonaceous dusts were tested in both air and O2/CO2 atmospheres with CH4 mole fraction from 0 to 2%. Results showed that the ignition risk of the three dusts significantly increases (decrease of MITC by ~100 ℃) with increasing XO2 from 21% to 50%, but significantly decreases replacing N2 in air with CO2. The inhibition effect of CO2 on MITCs could be diminished by increasing XO2 or adding CH4. The addition of small amount of CH4 has different effects on the MITCs of different dust samples, following the opposite order of volatile matter content: anthracite>bituminous coal>starch. Two modified steady-state ignition models, considering the density of mixture gas and dust cloud, XO2 and its diffusivity, were developed to interpret the experimental observations. The analysis revealed that the global heterogeneous ignition model suits well for the hybrid mixtures of anthracite or bituminous coal dusts. In contrast, the proposed global homogeneous ignition model was found to be only valid for the pure starch dust, and the extra CH4 addition could strongly affect the ignition process of starch, particularly in O2/CO2 atmospheres with higher XO2. KW - Dust explosions KW - Gas explosions KW - Minimum ignition temperature KW - Hybrid mixtures PY - 2021 DO - https://doi.org/10.1016/j.jhazmat.2020.124189 SN - 0304-3894 SN - 1873-3336 VL - 405 SP - 1 EP - 10 PB - Elsevier CY - Amsterdam AN - OPUS4-53838 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Vigna, L. A1 - Gottschalk, Martin A1 - Cacocciola, N. A1 - Verna, A. A1 - Marasso, S. L. A1 - Seeger, Stefan A1 - Pirri, C.F. A1 - Cocuzza, M. T1 - Flexible and reusable parylene C mask technology for applications in cascade impactor air quality monitoring systems N2 - The development of traceable new methodologies to quantify elemental air pollutants in particulate matter (PM) supports modernization of methods used in air quality monitoring networks in Europe. In the framework of the EURAMET EMPIR AEROMET II project, the combination of cascade impactor aerosol sampling and total reflection X-ray fluorescence elemental spectroscopy (TXRF) was investigated. This technique requires a traceable calibration based on reference samples. This paper describes a new, simple and effective method to produce such reference samples using flexible, reusable, and low-cost parylene C shadow masks, fabricated by photolithographic steps. These shadow masks can be used to produce reference samples that mimic the Dekati cascade impactor’s deposition patterns by applying as-prepared micro stencils to 30 mm acrylic substrates and evaporating a reference material (Ti) in arrangements of thin circular dots. The highly flexible direct patterning of acrylic discs with reference material, otherwise impossible with conventional photolithography, allows multiple reusing of the same micro stencils. The aspect ratios of the dots could be repeated with an error less than 4 %. A first set of standard reference samples for the 13 stages of the Dekati cascade impactor was produced and preliminary TXRF measurements of the deposited Ti masses were performed. The centricity of the deposition patterns turned out to be an important parameter for the quality of the TXRF results. The parylene mask technology for the production of reference samples turns out to be a promising new approach for the traceable calibration of TXRF spectrometers for the quantification of element concentrations in environmental aerosol samples but, due to its great versatility, it could be used for several other micropatterning applications on conventional and unconventional substrates. KW - AEROMET II KW - Aerosol KW - Parylene C KW - Reference samples KW - Flexible shadow masks KW - Cascade impactor KW - Air quality monitoring KW - Micropatterning KW - Mask fabrication KW - Elemental aerosol analysis KW - TXRF PY - 2022 DO - https://doi.org/10.1016/j.mne.2022.100108 SN - 2590-0072 VL - 14 SP - 1 EP - 19 PB - Elsevier B.V. CY - Amsterdam AN - OPUS4-54252 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Wu, Dejian A1 - Schmidt, Martin A1 - Huang, W. A1 - Wei, A. A1 - Krause, U. A1 - Wu, W. T1 - Inhibition effect of N2/CO2 blends on the minimum explosion concentration of agriculture and coal dusts N2 - Minimum explosion concentration (MEC) of three agriculture dusts and two coal dusts was studied via a 20-L explosion chamber to reveal the role of gaseous inhibitors. Both active method (CO2 diluting air) and passive method (CO2 replacing O2) were used. The TG and DTG thermal analysis tests were conducted to study the pyrolysis and combustion characteristics of dust samples. An alternative explosion criterion based on combustion duration time was used to determine MEC, and compared with the standardized overpressure method. Under 10-kJ ignition condition, as oxygen mole fraction (XO2) decreased from 21% to 10%, MEC of agriculture dusts and coal dusts respectively increased by around 5 times and 2 times. The active inerting method with a lower N2/CO2 ratio was found to have a better suppression effect on the explosion of the five carbonaceous dusts because the blend has a higher specific heat and a lower oxygen diffusion rate. KW - CO2/N2 ratio KW - Explosion criterion KW - Combustion kinetics KW - Inerting effect KW - Explosion characteristics PY - 2022 DO - https://doi.org/10.1016/j.powtec.2022.117195 SN - 0032-5910 VL - 399 SP - 1 EP - 12 PB - Elsevier B.V. AN - OPUS4-55013 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Lenz, J. U. A1 - Pospiech, D. A1 - Komber, H. A1 - Korwitz, A. A1 - Kobsch, O. A1 - Paven, M. A1 - Albach, R. W. A1 - Günther, Martin A1 - Schartel, Bernhard T1 - Effective halogen-free flame-retardant additives for crosslinked rigid polyisocyanurate foams: Comparison of chemical structures N2 - The impact of phosphorus-containing flame retardants (FR) on rigid polyisocyanurate (PIR) foams is studied by systematic variation of the chemical structure of the FR, including non-NCO-reactive and NCO-reactive dibenzo[d,f][1,3,2]dioxaphosphepine 6-oxide (BPPO)- and 9,10 dihydro-9-oxa-10 phosphaphenanthrene-10-oxide (DOPO)-containing compounds, among them a number of compounds not reported so far. These PIR foams are compared with PIR foams without FR and with standard FRs with respect to foam properties, thermal decomposition, and fire behavior. Although BPPO and DOPO differ by just one oxygen atom, the impact on the FR properties is very significant: when the FR is a filler or a dangling (dead) end in the PIR polymer network, DOPO is more effective than BPPO. When the FR is a subunit of a diol and it is fully incorporated in the PIR network, BPPO delivers superior results. KW - Flame retardant; KW - Dibenzo[d,f][1,3,2]dioxaphosphepine 6-oxide; BPPO KW - 9,10-dihydro-9-oxa-10-phosphaphenanthrene-10-oxide; DOPO KW - Polyisocyanurate; PIR KW - Rigid foam KW - Cone calorimeter KW - Pudovik reaction PY - 2023 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-567712 DO - https://doi.org/10.3390/ma16010172 SN - 1996-1944 VL - 16 IS - 1 SP - 1 EP - 22 PB - MDPI CY - Basel AN - OPUS4-56771 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Heyn, A. A1 - Rosemann, Paul A1 - Babutzka, Martin A1 - Bender, S. T1 - Electrochemical noise of unalloyed steel in mixtures of water-based binders and pigments N2 - The development of organic coatings for corrosion protection is an elaborate process with a multitude of often interminable investigations and tests of protection properties. Electrochemical methods support the processes of development to a great extent and help to understand mechanisms of action and failure. They are usually carried out on applied coating systems with a completed formulation. An examination possibility is presented in this publication that enables the characterization of waterbased coatings with different formulation variations in the liquid (aqueous) state with the aid of electrochemical noise technique. Thus, selection of binders, pigments, and other additives is supported essentially and made more efficient in a very early Phase of formulation development. The paper shows that a unique insight into the dynamic processes of a metal in contact with an aqueous coating dispersion is possible using the example of the development of zinc-free corrosion-inhibiting pigments for waterbased coatings. In addition, it is presented in which way the results correlate with the performance of applied coatings. KW - Organic coatings KW - Electrochemical noise KW - Corrosion KW - Corrosion protection KW - Corrosion protection pigments PY - 2017 DO - https://doi.org/10.1002/maco.201709671 SN - 0947-5117 SN - 1521-4176 VL - 68 IS - 12 SP - 1295 EP - 1301 PB - Wiley-VCH Verlag CY - Weinheim AN - OPUS4-43319 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Babutzka, Martin A1 - Heyn, A. A1 - Rosemann, Paul T1 - Influence of austenitizing and tempering on the corrosion behavior and sensitization of martensitic stainless steel X50CrMoV15 N2 - Electrochemical tests, hardness measurements, and microstructure analysis are performed to study the influence of austenitizing, quenching, and tempering parameters on the corrosion resistance of the martensitic stainless steel grade X50CrMoV15 (1.4116). Different heat treatment states were studied using an adapted EPR-Test to evaluate the chromium distribution and depletion caused by the formation and dissolution of chromium rich carbides. The EPR results were correlated with pitting corrosion behavior, demonstrating the strong effect of heat treatment parameters on the susceptibility of martensitic stainless steels to corrosion phenomena. KW - Martensitic stainless steel KW - Electrochemical potentiokinetic reactivation KW - Heat treatment KW - Pitting corrosion PY - 2018 DO - https://doi.org/10.1002/maco.201810170 SN - 0947-5117 SN - 1521-4176 VL - 69 IS - 10 SP - 1338 EP - 1349 PB - Wiley-VCH Verlag CY - Weinheim AN - OPUS4-46138 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Günther, Martin A1 - Lorenzetti, A. A1 - Schartel, Bernhard T1 - Fire Phenomena of Rigid Polyurethane Foams N2 - Rigid polyurethane foams (RPUFs) typically exhibit low thermal inertia, resulting in short ignition times and rapid flame spread. In this study, the fire phenomena of RPUFs were investigated using a multi-methodological approach to gain detailed insight into the fire behaviour of pentaneand water-blown polyurethane (PUR) as well as pentane-blown polyisocyanurate Polyurethane (PIR) foams with densities ranging from 30 to 100 kg/m3. Thermophysical properties were studied using thermogravimetry (TG); flammability and fire behaviour were investigated by means of the limiting oxygen index (LOI) and a cone calorimeter. Temperature development in burning cone calorimeter specimens was monitored with thermocouples inside the foam samples and visual investigation of quenched specimens’ cross sections gave insight into the morphological changes during burning. A comprehensive investigation is presented, illuminating the processes taking place during foam combustion. Cone calorimeter tests revealed that in-depth absorption of radiation is a significant factor in estimating the time to ignition. Cross sections examined with an electron scanning microscope (SEM) revealed a pyrolysis front with an intact foam structure underneath, and temperature measurement inside burning specimens indicated that, as foam density increased, their burning behaviour shifted towards that of solid materials. The superior fire performance of PIR foams was found to be based on the cellular structure, which is retained in the residue to some extent. KW - Foam KW - Polyurethane KW - Fire behaviour KW - Flammability PY - 2018 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-465577 DO - https://doi.org/10.3390/polym10101166 SN - 2073-4360 VL - 10 IS - 10 SP - 1166-1 EP - 1166-22 PB - MDPI AN - OPUS4-46557 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Dippong, Martin A1 - Carl, Peter A1 - Lenz, C. A1 - Schenk, J. A. A1 - Hoffmann, Katrin A1 - Schwaar, Timm A1 - Schneider, Rudolf A1 - Kuhne, Maren T1 - Hapten-specific single-cell selection of hybridoma clones by fluorescence-activated cell sorting for the generation of monoclonal antibodies N2 - The conventional hybridoma screening and subcloning process is generally considered to be one of the most critical steps in hapten-specific antibody production. It is time-consuming, monoclonality is not guaranteed, and the number of clones that can be screened is limited. Our approach employs a novel hapten-specific labeling technique of hybridoma cells. This allows for fluorescence-activated cell sorting (FACS) and single-cell deposition and thereby eliminates the above-mentioned problems. A two-step staining approach is used to detect antigen specificity and antibody expression: in order to detect antigen specificity, hybridoma cells are incubated with a hapten−horseradish peroxidase conjugate (hapten−HRP), which is subsequently incubated with a fluorophore-labeled polyclonal anti-peroxidase antibody (anti-HRP−Alexa Fluor 488). To characterize the expression of membrane-bound immunoglobulin G (IgG), a fluorophore-labeled anti-mouse IgG antibody (anti-IgG−Alexa Fluor 647) is used. Hundreds of labeled hybridoma cells producing monoclonal antibodies (mAbs) specific for a hapten were rapidly isolated and deposited from a fusion mixture as single-cell clones via FACS. Enzyme-linked immunosorbent assay (ELISA) measurements of the supernatants of the sorted hybridoma clones revealed that all hapten-specific hybridoma clones secrete antibodies against the target. There are significant improvements using this high-throughput technique for the generation of mAbs including increased yield of antibody-producing hybridoma clones, ensured monoclonality of sorted cells, and reduced development times. KW - Monoclonal antibodies KW - FACS KW - Hybridoma cells PY - 2017 DO - https://doi.org/10.1021/acs.analchem.6b04569 SN - 0003-2700 SN - 1520-6882 VL - 89 IS - 7 SP - 4007 EP - 4012 PB - ACS Publications AN - OPUS4-40320 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Beutel, R. A1 - Reinhardt, H.-W. A1 - Grosse, C.U. A1 - Glaubitt, A. A1 - Krause, Martin A1 - Maierhofer, Christiane A1 - Algernon, Daniel A1 - Wiggenhauser, Herbert A1 - Schickert, M. T1 - Comparative performance tests and validation of NDT methods for concrete testing N2 - Validation of non-destructive testing methods is necessary to create a common basis where different systems can be compared and their applications and limitations be identified. This can be achieved through comparing the measurements taken by several systems used for a common diagnostic purpose under practical but controlled testing conditions. Well-designed small and large laboratory or field specimens promise such conditions. The special concrete specimen (LCS) at BAM was constructed for validation purposes, in particular, to be used for evaluating the performance of echo methods. The thickness of the specimen is varying and it contains carefully designed built-in faults, such as voids, honeycombs and tendon ducts with various degrees of grouting defects. Since the geometry and condition of the defects are known, it can be used to compare the performance of radar, ultrasonic, impact-echo. The research was conducted within the Research group FOR384, sponsored by the German Research Society DFG. KW - Performance demonstration KW - Non-destructive testing KW - Concrete KW - Radar KW - Ultrasound KW - Impact-echo PY - 2008 DO - https://doi.org/10.1007/s10921-008-0037-1 SN - 0195-9298 SN - 1573-4862 VL - 27 IS - 1-3 SP - 59 EP - 65 PB - Plenum Press CY - New York, NY AN - OPUS4-17925 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Marklein, R. A1 - Mayer, K. A1 - Zimmer, A. A1 - Krause, Martin T1 - Ganzheitliche Methoden zur zerstörungsfreien Prüfung von Betonbauteilen - Modellierung, Abbildung und Charakterisierung von Verpressfehlern in Hüllrohren N2 - Für die zerstörungsfreie Prüfung großer Betonbauwerke unter dem Aspekt der Analyse von Spannkanälen hat sich die Ultraschalltechnik in den letzten Jahren als geeignete Methode herausgestellt, da sowohl die Messtechnik – insbesondere die Ultraschallwandler – als auch die numerischen Auswerteverfahren in einem Stadium sind, das es erlaubt, größere Messflächen und damit größere Volumina zu beschallen und abzubilden. Mit Hilfe der Modellierung der Ausbreitung elastischer Wellen in komplexen Medien können praxisrelevante Problemstellungen untersucht werden, auch unter dem Aspekt, Testkörper zu planen oder gar zu ersetzen. Durch die Auswertung der Phase der Rekonstruktion eines Streuvorgangs können Fehlstellen klassifiziert und damit Aussagen über die Bauwerkssicherheit signifikant objektiviert werden. Die Methoden werden, im Hinblick auf eine ganzheitliche Sichtweise von skalaren und polarimetrischen Abbildungsverfahren mit Unterstützung der Modellierung und der anschließenden Klassifizierung durch Phasenanalyse, an ausgewählten Beispielen erläutert. For nondestructive testing of concrete buildings under the aspect of tendon duct analysis, ultrasonic testing has proven to be a suitable method, as both the measuring technique – in particular the acoustic sensors – and the numerical methods allow the insonification and imaging of larger surfaces and volumes. With the aid of numerical modelling of elastic wave propagation in complex media real life problems can be examined with the goal to design or even to replace test specimen. By determination of the phase of an imaged scattering event, defects can be classified, and the prediction of the integrity of buildings can be significantly objectified. The methods are explained for selected examples in an integral way with respect to scalar and polarimetric imaging algorithms supported by modelling and subsequent classification through phase analysis. KW - Elastische Wellenausbreitung KW - Numerische Modellierung KW - Polimetrische Abbildungsverfahren KW - Phasenauswertung KW - Beton KW - Spannkanäle KW - Verpressfehler KW - Elastic wave propagation KW - Numerical modelling KW - Polarimetric imaging KW - Phase analysis KW - Concrete KW - Tendon ducts KW - Grouting defects PY - 2008 DO - https://doi.org/10.1524/teme.2008.0868 SN - 0340-837X SN - 0178-2312 SN - 0171-8096 VL - 75 IS - 6 SP - 376 EP - 389 PB - Oldenbourg CY - München AN - OPUS4-18235 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Bär, S. A1 - Huber, G. A1 - Gonzalo, J. A1 - Perea, A. A1 - Munz, Martin T1 - Pulsed laser deposition of EU - Y2O3 thin films on (0001) alpha-Al2O3 N2 - This paper focuses on the preparation and characterization of crystalline thin films of rare-earth-doped sesquioxides (Y2O3, Lu2O3) grown by pulsed laser deposition on single-crystal (0001) sapphire substrates. X-ray diffraction measurements show that the films with thicknesses between 1 nm and 500 nm were highly textured along the 111 direction. Using Rutherford backscattering analysis, the correct stoichiometric composition of the films was established. The emission and excitation spectra of europium-doped films with a thickness 100 nm look similar to those of the corresponding crystalline bulk material, whereas films with a thickness 20 nm show a completely different emission behavior. KW - Pulsed laser deposition KW - Integrated optical devices KW - X-ray diffraction KW - Atomic force microscopy KW - Luminescence PY - 2004 UR - http://www.sciencedirect.com/science/journal/0926860X DO - https://doi.org/10.1007/s00339-004-3029-8 SN - 0947-8396 VL - 80 IS - 2 SP - 209 EP - 216 PB - Springer CY - Berlin AN - OPUS4-5990 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Krüger, Jörg A1 - Martin, Sven A1 - Mädebach, Heinrich A1 - Urech, L. A1 - Lippert, T. A1 - Wokaun, A. A1 - Kautek, Wolfgang T1 - Femto- and nanosecond laser treatment of doped polymethylmethacrylate N2 - Femto- and nanosecond laser ablation of polymethylmethacrylate (PMMA) and PMMA doped with a linear absorber was investigated in the infrared spectral region. Ablation thresholds were determined and incubation phenomena were identified. The ‘degree’ of incubation was calculated employing a phenomenological model. The influence of the pulse duration on the machining quality of the polymers was examined. The presence of an absorbing chromophore is not a prerequisite for a controllable fs-laser structuring in contrast to the ns-treatment. Surface swelling always accompanied ablation. KW - Laser ablation KW - Laser beam machining KW - Doping thin films KW - Polymers-radiation effects PY - 2005 DO - https://doi.org/10.1016/j.apsusc.2005.01.078 SN - 0169-4332 SN - 1873-5584 VL - 247 SP - 406 EP - 411 PB - North-Holland CY - Amsterdam AN - OPUS4-7470 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Spickermann, J. A1 - Martin, K. A1 - Räder, H.J. A1 - Müllen, K. A1 - Schlaad, H. A1 - Müller, A. H. E. A1 - Krüger, Ralph-Peter T1 - Quantitative analysis of broad molecular weight distributions obtained by MALDI-TOF mass spectrometry PY - 1996 SN - 1469-0667 SN - 1356-1049 SN - 1365-0718 IS - 2 SP - 161 EP - 165 PB - IM Publications CY - Chichester AN - OPUS4-2153 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Urech, L. A1 - Lippert, T. A1 - Wokaun, A. A1 - Martin, Sven A1 - Mädebach, Heinrich A1 - Krüger, Jörg T1 - Removal of doped poly(methylmetacrylate) from tungsten and titanium substrates by femto- and nanosecond laser cleaning N2 - The influence of different laser pulse lengths on the removal of a polymer layer from metal substrates was investigated. As model systems, doped poly(methylmetacrylate) (PMMA) on titanium and tungsten substrates were selected. The ablation threshold and irradiation spot morphology of titanium and tungsten were compared for femtosecond (fs) and nanosecond (ns) laser irradiation and different pulse numbers. Nanosecond laser treatment resulted in a non-homogeneous surface morphology for both titanium and tungsten substrates. Femtosecond irradiation of tungsten revealed a homogeneous ablation spot with little changes in the surface morphology. For titanium, the formation of columnar structures within the irradiation spot was observed. Two different dopant concentrations were used for PMMA to achieve an equal linear absorption coefficient for the femto- and nanosecond laser wavelengths of 790 and 1064 nm. The best results were achieved for the removal of doped PMMA by femtosecond laser irradiation, where only a minimal modification of the metal surface was detected. In the case of nanosecond laser exposure, a pronounced change of the structure was observed, suggesting that damage-free cleaning of the selected metal may only be possible using femtosecond laser pulses. Different experimental parameters, such as laser fluence, pulse repetition rate and sample speed were also investigated to optimize the cleaning quality of doped PMMA from tungsten substrates with femtosecond laser pulses. KW - Poly(methylmetacrylate) KW - Laser treatment KW - Tungsten KW - Titanium KW - Femtosecond PY - 2006 DO - https://doi.org/10.1016/j.apsusc.2005.07.109 SN - 0169-4332 SN - 1873-5584 VL - 252 IS - 13 SP - 4754 EP - 4758 PB - North-Holland CY - Amsterdam AN - OPUS4-12368 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Krüger, Jörg A1 - Lenzner, Matthias A1 - Martin, Sven A1 - Lenner, M. A1 - Spielmann, Ch. A1 - Fiedler, A. A1 - Kautek, Wolfgang T1 - Single- and multi-pulse femtosecond laser ablation of optical filter materials N2 - Ablation experiments employing Ti:sapphire laser pulses with durations from 30 to 340 fs (centre wavelength 800 nm, repetition rate 1 kHz) were performed in air. Absorbing filters (Schott BG18 and BG36) served as targets. The direct focusing technique was used under single- and multi-pulse irradiation conditions. Ablation threshold fluences were determined from a semi-logarithmic plot of the ablation crater diameter versus laser fluence. The threshold fluence decreases for a shorter pulse duration and an increasing number of pulses. The multi-pulse ablation threshold fluences are similar to those of undoped glass material (~1 J cm-2). That means that the multi-pulse ablation threshold is independent on the doping level of the filters. For more than 100 pulses per spot and all pulse durations applied, the threshold fluence is practically constant. This leads to technically relevant ablation threshold values. KW - Damage KW - Femtosecond laser ablation KW - Filter KW - Incubation KW - Laser safety KW - Threshold PY - 2003 DO - https://doi.org/10.1016/S0169-4332(02)01389-2 SN - 0169-4332 SN - 1873-5584 VL - 208-209 SP - 233 EP - 237 PB - North-Holland CY - Amsterdam AN - OPUS4-11545 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Martin, Sven A1 - Krüger, Jörg A1 - Hertwig, Andreas A1 - Fiedler, A. A1 - Kautek, Wolfgang T1 - Femtosecond laser interaction with protection materials N2 - Textile, aluminium and polyethylene used as components in laser protection curtains were investigated with respect to their ablation behaviour. Employing 33-fs pulses (800 nm wavelength, 1 kHz repetition rate), ex situ geometrical measurements of the ablation cavities and in situ acoustic investigations with a microphone were performed to determine the ablation thresholds in the single- and multi-pulse cases. The acoustical method proved advantageous for complex surface morphologies and/or single laser pulse interactions. Incubation phenomena can be observed for all the materials studied. Technically relevant multi-pulse ablation thresholds are presented and are compared with the single-pulse (1-on-1) irradiation. KW - Damage KW - Femtosecond laser ablation KW - Laser safety KW - Threshold KW - Aluminium KW - Textile PY - 2003 DO - https://doi.org/10.1016/S0169-4332(02)01392-2 SN - 0169-4332 SN - 1873-5584 VL - 208-209 SP - 333 EP - 339 PB - North-Holland CY - Amsterdam AN - OPUS4-11546 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Stadthaus, Meinhard A1 - Thomas, Hans-Martin A1 - Migoun, N. A1 - Porkhorenko, P. A1 - Gnusin, A. ED - Thompson, D. T1 - On the Reliability of the Quantitative Evaluation of Penetrant Systems Quality N2 - The market of the penetrant systems is increasing every year. A sensitivity of the penetrant systems is one of the main criteria for a customer. Therefore the importance of reliable result of the determination of penetrant systems sensitivity is increasing as well. It was established in our experiments that repeating the procedure of type testing in accordance with ISO EN 3452-2, in many cases one can obtain rather variable results for the sensitivity level. The goal of our investigations was to establish the principal factors, influencing upon the result of penetrant system type testing. Our results show that the values of the duration of such penetrant inspection technological stages as penetrant and developer applications may be considerably lower than the values recommended by ISO EN 3452-2 for the type testing. At the same time the character of the procedure's realisation of excess penetrant removal and developer application strongly influences upon the type testing results. Some recommendations for obtaining more reliable results of the determination of penetrant system sensitivity are worked out and proposed. ©2002 American Institute of Physics. T2 - 28th Annual Review of Progress in Quantitative Nondestructive Evaluation CY - Brunswick, ME, USA DA - 2001-07-29 PY - 2001 SN - 0-7354-0061-X DO - https://doi.org/10.1063/1.1473037 SN - 0743-0760 SN - 0094-243X N1 - Serientitel: AIP conference proceedings – Series title: AIP conference proceedings IS - 615 SP - 1991 EP - 1996 PB - American Institute of Physics CY - Melville, NY AN - OPUS4-1531 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Szymoniak, Paulina A1 - Kolmangadi, Mohamed A. A1 - Böhning, Martin A1 - De Souza, N. R. A1 - Juranyi, F. A1 - Zorn, R. A1 - Schönhals, Andreas T1 - Inelastic and Quasielastic Neutron Scattering on Polynorbornenes with Bulky Carbocyclic Side groups N2 - This study investigates the molecular mobility and vibrational properties of polynorbornenes with bulky carbocyclic side groups using inelastic and quasielastic neutron scattering techniques. The polymers, synthesized via metathesis and addition polymerization, exhibit varying degrees of microporosity, which ignificantly influences their gas separation performance. By inelastic neutron scattering experiments, it could be shown that all considered polymers have excess contributions to the low frequency vibrational density of states known as the Boson peak. The maximum frequency of the Boson peak correlates to the microporosity of the polymers. This correlation supports the sound wave interpretation of the Boson peak, suggesting that the microporous structure enhances the compressibility of the material at a microscopic length scale. The molecular mobility, particularly the methyl group rotation, was characterized using elastic scans and quasielastic neutron scattering. The study revealed a temperature dependent relaxation process, with the onset of molecular fluctuations observed around 200 K for the polymer containing methyl groups. For the polymer having no methyl groups only elastic scattering is observed. The methyl group rotation was analyzed in terms of a jump diffusion in a threefold potential with three equivalent energy minima. This leads to an almost correct description of the q dependence of the elastic incoherent scattering function when the number of hydrogen nuclei undergoing the methyl group rotation is considered. It was further evidenced that the fraction of methyl undergoing the methyl group rotation increases with increasing temperature. KW - Polymers of Intrinsic Microporosity KW - Neutron scattering PY - 2025 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-630297 DO - https://doi.org/10.1016/j.polymer.2025.128358 SN - 1873-2291 VL - 328 SP - 241 PB - Elsevier Ltd. AN - OPUS4-63029 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Szymoniak, Paulina A1 - Kolmangadi, Mohamed A. A1 - Juranyi, Fanni A1 - Böhning, Martin A1 - Zorn, Reiner A1 - Schönhals, Andreas T1 - Low-Frequency Vibrational Density of State of Janus-Polynorbornenes: The Dependence of the Boson Peak on the Nanophase-Separated Structure N2 - Inelastic incoherent neutron time-of-flight scattering was employed to investigate the low-frequency vibrational density of states (VDOSs) for a series of glassy Janus-poly(tricyclononenes), which consist of a rigid main chain and flexible alkyl side chains. Here, the length of the flexible side chains was systematically varied from propyl to octyl. Such materials have potential applications as active separation layers in gas separation membranes as a green future technology, especially for the separation of higher hydrocarbons. From the morphological point of view, the Janus polynorbornenes undergo a nanophase separation into alkyl side chain-rich nanodomains surrounded by a rigid polynorbornene matrix. Here, the influence of the nanophase-separated structure on the low-frequency VDOS is investigated from a fundamental point of view. The low-frequency VDOSs of these Janus polynorbornene show excess contributions to the Debye type VDOS known as the Boson peak (BP) for all side chain lengths. Due to the high incoherent scattering cross-section of hydrogen, most of the scattering comes from the alkyl side chain-rich domains. Compared to conventional glass-forming materials, in the considered Janus polynorbornenes, the BP has a much lower intensity and its frequency position is shifted to higher values. These experimental results are discussed in terms of the nanophase-separated structure where the alkyl chain-rich domains were constrained by the surrounding matrix dominated by the rigid backbone. With increasing alkyl chain length, the size of the alkyl chain-rich domains increases. The frequency position of the BP shifts linearly to lower frequencies with the size of these nanodomains estimated from X-ray measurements. The obtained results support the sound wave interpretation to the BP KW - Inelastic neutron scattering PY - 2023 DO - https://doi.org/10.1021/acs.macromol.3c00913 SN - 0024-9297 SP - 1 EP - 10 PB - ACS AN - OPUS4-57972 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Lozano-Martín, D. A1 - Akubue, G. U. A1 - Moreau, A. A1 - Tuma, Dirk A1 - Chamorro, C. R. T1 - Accurate experimental (p, rho, T) data of the (CO2 + O2) binary system for the development of models for CCS processes N2 - The limited availability of accurate experimental data in wide ranges of pressure, temperature, and composition is the main constraining factor for the proper development and assessment of thermodynamic models and equations of state. In the particular case of carbon capture and storage (CCS) processes, there is a clear need for data sets related to the (carbon dioxide + oxygen) mixtures that this work aims to address. This work provides new experimental (p, rho, T) data for three binary (CO2 + O2) mixtures with mole fractions of oxygen x(O2) = (0.05, 0.10, and 0.20) mol/mol, in the temperature range T = (250 to 375) K and pressure range p = (0.5 to 13) MPa. The measurements were performed with a high-precision single-sinker densimeter with magnetic suspension coupling. The density data were obtained with estimated expanded relative uncertainties of 0.02 % for the highest densities and up to 0.3 % for the lowest ones.The results were compared to the corresponding results calculated by the current reference equations of state for this kind of mixtures, namely the EOS-CG (combustion gases) and the GERG-2008 equation of state, respectively. The EOS-CG yields better estimations in density than the GERG-2008 equation of state. The results from the EOS-GC model show no systematic temperature dependence. For the GERG-2008 model, however, this criterion is significantly less fulfilled. KW - carbon capture and storage KW - single-sinker densimeter KW - equation of state PY - 2020 DO - https://doi.org/10.1016/j.jct.2020.106210 SN - 0021-9614 VL - 150 SP - 106210 PB - Elsevier Ltd. CY - Amsterdam AN - OPUS4-50925 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Neumann, Patrick P. A1 - Hüllmann, Dino A1 - Krentel, Daniel A1 - Kluge, Martin A1 - Kohlhoff, Harald A1 - Lilienthal, A. J. T1 - Gas Tomography Up In The Air! N2 - In this paper, we present an autonomous aerial robot to reconstruct tomographic 2D slices of gas plumes in outdoor environments. Our platform, the so-called Unmanned Aerial Vehicle for Remote Gas Sensing (UAV-REGAS) combines a lightweight Tunable Diode Laser Absorption Spectroscopy (TDLAS) sensor with a 3-axis aerial stabilization gimbal for aiming on a versatile octocopter. The TDLAS sensor provides integral gas concentration measurements but no information regarding the distance traveled by the laser diode's beam or the distribution of the gas along the optical path. We complemented the set-up with a laser rangefinder and apply principles of Computed Tomography (CT) to create a model of the spatial gas distribution from these integral concentration measurements. To allow for a rudimentary ground truth evaluation of the applied gas tomography algorithm, we set up a unique outdoor test environment based on two 3D ultrasonic anemometers and a distributed array of 10 infrared gas transmitters. We present first results showing the 2D plume reconstruction capabilities of the system under realistic conditions. T2 - IEEE Sensors 2018 CY - New Delhi, India DA - 28.10.2018 KW - Aerial robot KW - TDLAS KW - Gas tomography KW - Plume PY - 2018 SN - 978-1-5386-4707-3 SP - 396 EP - 398 PB - IEEE AN - OPUS4-46477 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Lozano-Martín, D. A1 - Pazoki, F. A1 - Kipphardt, Heinrich A1 - Khanipour, P. A1 - Tuma, Dirk A1 - Horillo, A. A1 - Chamorro, C. R. T1 - Thermodynamic (p, ρ, T) characterization of a reference high-calorific natural gas mixture when hydrogen is added up to 20 % (mol/mol) N2 - The injection of hydrogen into the natural-gas grid is an alternative during the process of a gradual decarbonization of the heat and power supply. When dealing with hydrogen-enriched natural gas mixtures, the performance of the reference equations of state habitually used for natural gas should be validated by using high-precision experimental thermophysical data from multicomponent reference mixtures prepared with the lowest possible uncertainty in composition. In this work, we present experimental density data for an 11-compound high-calorific (hydrogen-free) natural gas mixture and for two derived hydrogen-enriched natural gas mixtures prepared by adding (10 and 20) mol-% of hydrogen to the original standard natural gas mixture. The three mixtures were prepared gravimetrically according to ISO 6142–1 for maximum precision in their composition and thus qualify for reference materials. A single-sinker densimeter was used to determine the density of the mixtures from (250–350) K and up to 20 MPa. The experimental density results of this work have been compared to the densities calculated by three different reference equations of state for natural gas related mixtures: the AGA8-DC92 EoS, the GERG-2008 EoS, and an improved version of the GERG-2008 EoS. While relative deviations of the experimental density data for the hydrogen-free natural gas mixture are always within the claimed uncertainty of the three considered equations of state, larger deviations can be observed for the hydrogen-enriched natural gas mixtures from any of the three equations of state, especially for the lowest temperature and the highest pressures. KW - Hydrogen-enriched natural gas KW - Single-sinker densimeter KW - High-pressure density KW - Equations of state PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-604742 DO - https://doi.org/10.1016/j.ijhydene.2024.05.028 SN - 0360-3199 VL - 70 SP - 118 EP - 135 PB - Elsevier BV CY - Amsterdam AN - OPUS4-60474 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Anker, Andy S. A1 - Aspuru-Guzik, Alán A1 - Ben Mahmoud, Chiheb A1 - Bennett, Sophie A1 - Briling, Ksenia R. A1 - Changiarath, Arya A1 - Chong, Sanggyu A1 - Collins, Christopher M. A1 - Cooper, Andrew I. A1 - Crusius, Daniel A1 - Darmawan, Kevion K. A1 - Das, Basita A1 - David, Nicholas A1 - Day, Graeme M. A1 - Deringer, Volker L. A1 - Duarte, Fernanda A1 - Eardley-Brunt, Annabel A1 - Evans, Matthew L. A1 - Evans, Rob A1 - Fairlamb, Ian A1 - Franklin, Barnabas A. A1 - Frey, Jeremy A1 - Ganose, Alex M. A1 - Goulding, Mark A1 - Hafizi, Roohollah A1 - Hakkennes, Matthijs A1 - Hickey, Niamh A1 - James, Gillian A1 - Jelfs, Kim E. A1 - Kalikadien, Adarsh V. A1 - Kapil, Venkat A1 - Koczor-Benda, Zsuzsanna A1 - Krammer, Ferdinand A1 - Kulik, Heather J. A1 - Kumar, Vishank A1 - Kuttner, Christian A1 - Lam, Erwin A1 - Lou, Yuchen A1 - Mante, Eltjo A1 - Martin, Jennie A1 - Mroz, Austin M. A1 - Nematiaram, Tahereh A1 - Pare, Charles W. P. A1 - Patra, Sarbani A1 - Proudfoot, James A1 - Ruscic, Branko A1 - Ryder, Matthew R. A1 - Sakaushi, Ken A1 - Saßmannshausen, Jörg A1 - Savoie, Brett M. A1 - Schneider, Nadine A1 - Schwaller, Philippe A1 - Skjelstad, Bastian Bjerkem A1 - Sun, Wenhao A1 - Szczypiński, Filip T. A1 - Torrisi, Steven A1 - Ueltzen, Katharina A1 - Vishnoi, Shubham A1 - Walsh, Aron A1 - Wang, Xinwei A1 - Wilson, Chloe A1 - Wu, Ruiqi A1 - Zeitler, Jakob T1 - Discovering structure–property correlations: General discussion N2 - This article is a discussion of the paper "Web-BO: Towards increased accessibility of Bayesian optimisation (BO) for chemistry" by Austin M. Mroz, Piotr N. Toka, Ehecatl Antonio del Río Chanona and Kim E. Jelfs (Faraday discussions, 2025, 256, 221-234). KW - Materials design KW - Machine learning KW - Automation KW - Materials discovery PY - 2025 DO - https://doi.org/10.1039/d4fd90062f SN - 1359-6640 SN - 1364-5498 VL - 256 IS - Themed collection: Data-driven discovery in the chemical sciences SP - 373 EP - 412 PB - Royal Society of Chemistry (RSC) CY - Cambridge AN - OPUS4-62208 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Anker, Andy S. A1 - Aspuru-Guzik, Alán A1 - Bechtel, Tim A1 - Bigi, Filippo A1 - Briling, Ksenia R. A1 - Das, Basita A1 - David, Nicholas A1 - Day, Graeme M. A1 - Deringer, Volker L. A1 - Dyer, Matthew A1 - Eardley-Brunt, Annabel A1 - Evans, Matthew L. A1 - Evans, Rob A1 - Franklin, Barnabas A. A1 - Ganose, Alex M. A1 - George, Janine A1 - Goulding, Mark A1 - Hickey, Niamh A1 - James, Gillian A1 - Kalikadien, Adarsh V. A1 - Kapil, Venkat A1 - Kulik, Heather J. A1 - Kumar, Vishank A1 - Kuttner, Christian A1 - Lam, Erwin A1 - Lederbauer, Magdalena A1 - Lou, Yuchen A1 - Martin, Jennie A1 - Marulanda Bran, Andres A1 - Mathea, Miriam A1 - Pickard, Chris J. A1 - Ruscic, Branko A1 - Ryder, Matthew R. A1 - Sabanza Gil, Victor A1 - Schwaller, Philippe A1 - Segler, Marwin H. S. A1 - Sun, Wenhao A1 - Tanovic, Sara A1 - Treyde, Wojtek A1 - Walsh, Aron A1 - Wu, Ruiqi T1 - Discovering synthesis targets: General discussion N2 - This article is a discussion of the paper "Analysis of uncertainty of neural fingerprint-based models" by Christian W. Feldmann, Jochen Sieg and Miriam Mathea (Faraday discussions, 2025, DOI: 10.1039/D4FD00095A). KW - Automation KW - Materials acceleration platforms KW - Machine learning KW - Materials design KW - Materials discovery KW - Density functional theory KW - Ab initio PY - 2025 DO - https://doi.org/10.1039/D4FD90064B SN - 1359-6640 SN - 1364-5498 VL - 256 IS - Themed collection: Data-driven discovery in the chemical sciences SP - 639 EP - 663 PB - Royal Society of Chemistry (RSC) CY - Cambridge AN - OPUS4-62317 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Emamverdi, Farnaz A1 - Huang, J. A1 - Mosane Razavi, Negar A1 - Bojdys, M. J. A1 - Forster, A. B. A1 - Budd, P. M. A1 - Böhning, Martin A1 - Schönhals, Andreas T1 - Molecular Mobility and Gas Transport Properties of Mixed Matrix Membranes Based on PIM‑1 and a Phosphinine Containing Covalent Organic Framework N2 - Polymers with intrinsic microporosity (PIMs) are gaining attention as gas separation membranes. Nevertheless, they face limitations due to pronounced physical aging. In this study a covalent organic framework containing λ5-phosphinine moieties, CPSF-EtO were incorporated as a nanofiller (concentration range 0-10 wt%) into a PIM-1 matrix forming dense films with a thickness of ca. 100 μm. The aim of the investigation was to investigate possible enhancements of gas transport properties and mitigating effects on physical aging. The incorporation of the nanofiller occurred on aggregate level with domains up to 100 nm as observed by T-SEM and confirmed by X-ray scattering. Moreover, the X-ray data show that the structure of the microporous network of the PIM-1 matrix is changed by the nanofiller. As the molecular mobility is fundamental for gas transport as well as for physical aging, the study includes dielectric investigations of pure PIM-1 and PIM-1/CPSF-EtO mixed matrix membranes to establish a correlation between the molecular mobility and the gas transport properties. Using the time-lag method the gas permeability and the permselectivity were determined for N2, O2, CH4 and CO2 for samples with variation in filler content. A significant increase in the permeability of CH4 and CO2 (50 % increase compared to pure PIM-1) was observed for a concentration of 5 wt% of the nanofiller. Furthermore, the most pronounced change in the permselectivity was found for the gas pair CO2/N2 at a filler concentration of 7 wt%. KW - Polymers of Intrinsic Microporosity KW - Nanocomposites PY - 2024 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-595031 DO - https://doi.org/10.1021/acs.macromol.3c02419 SN - 0024-9297 VL - 57 IS - 4 SP - 1829 EP - 1845 PB - ACS Publications AN - OPUS4-59503 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -