TY - JOUR
A1 - Swaraj, S.
A1 - Dietrich, Paul
A1 - Unger, Wolfgang
T1 - Simultaneous surface and bulk sensitive XAS measurements of magnetic particle clusters
N2 - Magnetic iron oxide nanoparticle clusters (mnpc) coated with organic stabilizers were investigated using scanning transmission x-ray microscopy (STXM). Simultaneous surface and bulk sensitive Fe L₃ edge absorption spectra, obtained using a photomultiplier tube and a channeltron, were used to detect subtle changes in the oxidation state in the surface and bulk of Iron Oxide mnpc. The effectiveness of this mode of STXM operation is demonstrated for these nanoparticle clusters.
T2 - X-Ray Microscopy Conference 2016 (XRM 2016)
CY - Oxford, UK
DA - 15.08. 2016
KW - Fe L3 edge absorption spectra
KW - Scanning transmission x- ray microscopy
KW - Magnetic iron oxide nanoparticle clusters
KW - XAS
PY - 2017
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-410576
UR - http://iopscience.iop.org/article/10.1088/1742-6596/849/1/012014/pdf
DO - https://doi.org/10.1088/1742-6596/849/1/012014
SN - 1742-6588
VL - 849
SP - 012014, 1
EP - 012014, 5
PB - IOP Publishing
AN - OPUS4-41057
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Swaraj, S.
A1 - Dietrich, Paul
A1 - Unger, Wolfgang
T1 - Simultaneous surface and bulk sensitive XAS measurements of magnetic particle clusters
N2 - Magnetic iron oxide nanoparticle clusters (mnpc) coated with organic stabilizers were investigated using scanning transmission x-ray microscopy (STXM). Simultaneous surface and bulk sensitive Fe L3 edge absorption spectra, obtained using a photomultiplier tube and a channeltron, were used to detect subtle changes in the oxidation state in the surface and bulk of Iron Oxide mnpc.
The effectiveness of this mode of STXM operation is demonstrated for These nanoparticle clusters.
T2 - X-Ray Microscopy Conference 2016 (XRM 2016)
CY - Oxford, UK
DA - 15.08.2016
KW - Scanning transmission x-ray microscopy (STXM)
KW - Magnetic nanoparticles
KW - Fe L3 edge absorption spectra
PY - 2017
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-435907
UR - http://iopscience.iop.org/article/10.1088/1742-6596/849/1/012014/meta
DO - https://doi.org/10.1088/1742-6596/849/1/012014
VL - 849
SP - 012014, 1
EP - 012014, 4
PB - IOP Publishing
AN - OPUS4-43590
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Becker, Tina
A1 - Altenburg, Simon
A1 - Scheuschner, Nils
A1 - Breese, Philipp Peter
A1 - Metz, C.
A1 - Hilgenberg, Kai
A1 - Maierhofer, Christiane
T1 - In-situ monitoring of the Laser Powder Bed Fusion build process via bi- chromatic optical tomography
N2 - As metal additive manufacturing (AM) is entering industrial serial production of safety relevant components, the need for reliable process qualification is growing continuously. Especially in strictly regulated industries, such as aviation, the use of AM is strongly dependent on ensuring consistent quality of components. Because of its numerous influencing factors, up to now, the metal AM process is not fully controllable. Today, expensive part qualification processes for each single component are common in industry.
This contribution focusses on bi-chromatic optical tomography as a new approach for AM in-situ quality control. In contrast to classical optical tomography, the emitted process radiation is monitored simultaneously with two temperature calibrated cameras at two separate wavelength bands. This approach allows one to estimate the local maximum temperatures during the manufacturing process, thus increases the comparability of monitoring data of different processes. A new process information level at low investment cost is reachable, compared to, e.g., infrared thermography.
T2 - LANE 2022
CY - Fürth, Germany
DA - 04.08.2022
KW - Optical tomography
KW - Additive Manufacturing
KW - L-PBF
KW - In-process monitoring
PY - 2022
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-560270
DO - https://doi.org/10.1016/j.procir.2022.08.035
SN - 2212-8271
VL - 111
SP - 340
EP - 344
PB - Elsevier B.V.
CY - Amsterdam
AN - OPUS4-56027
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Weigert, Florian
A1 - Müller, A.
A1 - Häusler, I.
A1 - Geißler, Daniel
A1 - Skroblin, D.
A1 - Unger, Wolfgang
A1 - Radnik, Jörg
A1 - Resch-Genger, Ute
T1 - Combining HR‑TEM and XPS to elucidate the core–shell structure of ultrabright CdSe/CdS semiconductor quantum dots
N2 - Controlling thickness and tightness of surface passivation shells is crucial for many applications of core–shell nanoparticles (NP). Usually, to determine shell thickness, core and core/shell particle are measured individually requiring the availability of both nanoobjects. This is often not fulfilled for functional nanomaterials such as many photoluminescent semiconductor quantum dots (QD) used for bioimaging, solid state lighting, and display technologies as the core does not show the applicationrelevant functionality like a high photoluminescence (PL) quantum yield, calling for a whole nanoobject approach. By combining high-resolution transmission electron microscopy (HR-TEM) and X-ray photoelectron spectroscopy (XPS), a novel whole nanoobject approach is developed representatively for an ultrabright oleic acid-stabilized, thick shell CdSe/CdS QD with a PL quantum yield close to unity. The size of this spectroscopically assessed QD, is in the range of the information depth of usual laboratory XPS. Information on particle size and monodispersity were validated with dynamic light scattering (DLS) and small angle X-ray scattering (SAXS) and compared to data derived from optical measurements. In addition to demonstrating the potential of this novel whole nanoobject approach for determining architectures of small nanoparticles, the presented results also highlight challenges faced by different sizing and structural analysis methods and method-inherent uncertainties.
KW - Photoluminescence
KW - Single particle
KW - Microscopy
KW - Particle architecture
KW - Thickness
KW - SAXS
KW - Shell
KW - XPS
KW - TEM
KW - Semiconductor
KW - Quantum dot
KW - Photophysics
KW - Quantum yield
PY - 2020
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-517911
DO - https://doi.org/10.1038/s41598-020-77530-z
VL - 10
IS - 1
SP - 20712
PB - Springer Nature
AN - OPUS4-51791
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Müller, Anja
A1 - Sparnacci, K.
A1 - Unger, Wolfgang
A1 - Tougaard, S.
T1 - Determining nonuniformities of core-shell nanoparticle coatings by analysis of the inelastic background of X-ray photoelectron spectroscopy survey spectra
N2 - Most real core-shell nanoparticle (CSNP) samples deviate from an ideal core-shell structure potentially having significant impact on the particle properties. An ideal structure displays a spherical core fully encapsulated by a shell of homogeneous thickness, and all particles in the sample exhibit the same shell thickness. Therefore,
analytical techniques are required that can identify and characterize such deviations.
This study demonstrates that by analysis of the inelastic background in X-ray photoelectron spectroscopy (XPS) survey spectra, the following types of deviations can be identified and quantified: the nonuniformity of the shell thickness within a nanoparticle sample and the incomplete encapsulation of the cores by the shell material. Furthermore, CSNP shell thicknesses and relative coverages can be obtained. These results allow for a quick and straightforward comparison between several batches of a specific CSNP, different coating approaches, and so forth. The presented XPS methodology requires a submonolayer distribution of CSNPs on a substrate.
Poly(tetrafluoroethylene)-poly(methyl methacrylate) and poly(tetrafluoroethylene)-polystyrene polymer CSNPs serve as model systems to demonstrate the applicability of the approach.
KW - Core-shell
KW - Nanoparticles
KW - Inelastic background
KW - Polymers
KW - QUASES
KW - XPS
PY - 2020
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-511315
DO - https://doi.org/10.1002/sia.6865
SN - 0142-2421
SN - 1096-9918
VL - 52
SP - 1
EP - 8
PB - Wiley
CY - Chichester
AN - OPUS4-51131
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Kovacevic, E.
A1 - Strunskus, T.
A1 - Santhosh, N. M.
A1 - Zavasnik, Z.
A1 - Unger, Wolfgang
A1 - Sauvage, T.
A1 - Ammar, M.-R.
A1 - Cvelbar, U.
A1 - Berndt, J.
T1 - Thermal stability studies of plasma deposited hydrogenated carbon nitride nanostructures
N2 - Thermally stable carbon nitride nanostructures have potential applications in surface coatings and automotive fields. In this work, hydrogenated nitrogen-rich carbon nitride nanoparticles have been synthesised via low-pressure low-power plasma vapour deposition technique from methane/Nitrogen gas mixture in a dry process. Thermal stability of the initially prepared hydrogenated carbon Nitride structures has been analysed by near-edge X-ray absorption fine-structure spectroscopy (NEXAFS, insitu), Raman spectroscopy, scanning and transmission electron microscopy and nuclear reaction Analysis (NRA). Thermal studies reveal the excellent stability of the material and nitrogen-rich characteristics (N/C ratio 0.5e0.2 ± 0.01). The obtained results suggest transformation of sp3-rich as-deposited carbon Nitride into sp2-carbon phase with more graphitic features upon thermal annealing. Such in-situ thermal studies of plasma deposited carbon nitrides confirm the conversion of sp3-rich phase to sp2-rich carbon phase at the critical temperature (about 450 K), without a huge loss in nitrogen content. The analysis revealed that the material is a stable plasma deposit after this critical temperature up to >1100 K. Additionally, super hydrophilic carbon nitride nanostructure transforms into a hydrophobic surface after thermal annealing.
These thermally stable hydrophobic carbon nitride nanoparticles could be used as a promising material for the hydrophobic coatings for various applications, especially for harsh conditions.
KW - Carbon nanoparticles
KW - Hydrogenated nanostructures
KW - Plasma deposition
KW - NEXAFS
KW - Thermal annealing
PY - 2021
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-536163
DO - https://doi.org/10.1016/j.carbon.2021.08.008
SN - 0008-6223
VL - 184
SP - 82
EP - 90
PB - Elsevier Ltd.
AN - OPUS4-53616
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Pohl, Christoph
A1 - Smilauer, V.
A1 - Unger, Jörg F.
T1 - A three-phase transport model for high-temperature concrete simulations validated with X-ray CT data
N2 - Concrete exposure to high temperatures induces thermo-hygral phenomena, causing water phase changes, buildup of pore pressure and vulnerability to spalling. In order to predict these phenomena under various conditions, a three-phase transport model is proposed. The model is validated on X-ray CT data up to 320 ◦C, showing good agreement of the temperature profiles and moisture changes. A dehydration description, traditionally derived from thermogravimetric analysis, was replaced by a formulation based on data from neutron radiography. In addition, treating porosity and dehydration evolution as independent processes, previous approaches do not fulfil the solid mass balance. As a consequence, a new formulation is proposed that introduces the porosity as an independent variable, ensuring the latter condition.
KW - Concrete
KW - Porous media
KW - Spalling
KW - Dehydration
KW - Moisture transport
KW - Heat transfer
KW - Pore pressure
KW - Porosity
KW - Finite elements
PY - 2021
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-532840
UR - https://doi.org/10.5281/zenodo.4890635
DO - https://doi.org/10.3390/ma14175047
SN - 1996-1944
VL - 14
IS - 17
SP - 1
EP - 21
PB - MDPI
CY - Basel
AN - OPUS4-53284
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Müller, Anja
A1 - Krahl, T.
A1 - Radnik, Jörg
A1 - Wagner, Andreas
A1 - Werner, W. S. M.
A1 - Ritter, B.
A1 - Kemnitz, E.
A1 - Unger, Wolfgang
T1 - Chemical in-depth analysis of (Ca/Sr)F2 core–shell like nanoparticles by X-ray photoelectron spectroscopy with tunable excitation energy
N2 - The fluorolytic sol–gel synthesis is applied with the intention to obtain two different types of core–shell nanoparticles, namely, SrF2–CaF2 and CaF2–SrF2. In two separate fluorination steps for core and shell formation, the corresponding metal lactates are reacted with anhydrous HF in ethylene glycol. Scanning transmission electron microscopy (STEM) and dynamic light scattering (DLS) confirm the formation of particles with mean dimensions between 6.4 and 11.5 nm. The overall chemical composition of the particles during the different reaction steps is monitored by quantitative Al Kα excitation X-ray photoelectron spectroscopy (XPS). Here, the formation of stoichiometric metal fluorides (MF2) is confirmed, both for the core and the final core–shell particles. Furthermore, an in-depth analysis by synchrotron radiation XPS (SR-XPS) with tunable excitation energy is performed to confirm the core–Shell character of the nanoparticles. Additionally, Ca2p/Sr3d XPS intensity ratio in-Depth profiles are simulated using the software Simulation of Electron Spectra for Surface Analysis (SESSA). In principle, core–shell like particle morphologies are formed but without a sharp interface between calcium and strontium containing phases.
Surprisingly, the in-depth chemical distribution of the two types of nanoparticles is equal within the error of the experiment. Both comprise a SrF2-rich core domain and CaF2-rich shell domain with an intermixing zone between them. Consequently, the internal morphology of the final nanoparticles seems to be independent from the synthesis chronology.
KW - Metal fluorides
KW - Sol-gel synthesis
KW - Synchrotron radiation
KW - X-ray photoelectron spectroscopy
PY - 2021
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-522284
DO - https://doi.org/10.1002/sia.6937
SN - 0142-2421
VL - 53
IS - 5
SP - 494
EP - 508
PB - Wiley VCH
AN - OPUS4-52228
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Kjaervik, Marit
A1 - Ramstedt, M.
A1 - Schwibbert, Karin
A1 - Dietrich, P. M
A1 - Unger, Wolfgang
T1 - Comparative Study of NAP-XPS and Cryo-XPS for the Investigation of Surface Chemistry of the Bacterial Cell-Envelope
N2 - Bacteria generally interact with the environment via processes involving their cell-envelope. Thus, techniques that may shed light on their surface chemistry are attractive tools for providing an understanding of bacterial interactions. One of these tools is Al Kα-excited photoelectron spectroscopy (XPS) with its estimated information depth of <10 nm. XPS-analyses of bacteria have been performed for several decades on freeze-dried specimens in order to be compatible with the vacuum in the analysis chamber of the spectrometer. A limitation of these studies has been that the freeze-drying method may collapse cell structure as well as introduce surface contaminants. However, recent developments in XPS allow for analysis of biological samples at near ambient pressure (NAP-XPS) or as frozen hydrated specimens (cryo-XPS) in vacuum. In this work, we have analyzed bacterial samples from a reference strain of the Gram-negative bacterium Pseudomonas fluorescens using both techniques. We compare the results obtained and, in general, observe good agreement between the two techniques. Furthermore, we discuss advantages and disadvantages with the two analysis approaches and the output data they provide. XPS reference data from the bacterial strain are provided, and we propose that planktonic cells of this strain (DSM 50090) are used as a reference material for surface chemical analysis of bacterial systems.
KW - P. Fluorescens
KW - Cryo XPS
KW - NAP-XPS
KW - DSM 5009
PY - 2021
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-525640
DO - https://doi.org/10.3389/fchem.2021.666161
VL - 9
SP - Article 666161
PB - Frontiers
CY - Switzerland
AN - OPUS4-52564
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Unger, Wolfgang
A1 - Senoner, M.
A1 - Stockmann, Jörg M.
A1 - Fernandez, V.
A1 - Fairley, N.
A1 - Passiu, C.
A1 - Spencer, N. D.
A1 - Rossi, A.
T1 - Summary of ISO/TC 201 International Standard ISO 18516:2019 Surface chemical analysis - Determination of lateral resolution and sharpness in beam-based methods with a range from nanometres to micrometres and its implementation for imaging laboratory X-ray photoelectron spectrometers (XPS)
N2 - ISO 18516:2019 Surface chemical analysis—Determination of lateral resolution and sharpness in beam-based methods with a range from nanometres to micrometres revises ISO 18516:2006 Surface chemical analysis—Auger electron spectroscopy and X-ray photoelectron spectroscopy—Determination of lateral resolution. It implements three different methods delivering parameters useful to express the lateral resolution: (1) the straight edge method, (2) the narrow line method and (3) the grating method. The theoretical background of these methods is introduced in ISO/TR 19319:2013 Surface chemical analysis—Fundamental approaches to determination of lateral resolution and sharpness in beam-based methods. The revised International Standard ISO 18516 delivers standardized procedures for the determination of the (1) effective lateral resolution by imaging of square-wave gratings, the (2) lateral resolution expressed as the parameter D12–88 characterizing the steepness of the sigmoidal edge spread function (ESF) determined by imaging a straight edge and (3) the lateral resolution expressed as the full width of half maximum of the line spread function (LSF), wLSF, determined by imaging a narrow line. The last method also delivers information on the shape of the LSF, which characterizes an individual imaging instrument. Finally, the implementation of all three standardized methods in the field of imaging laboratory X-ray photoelectron spectroscopy (XPS) is shortly presented. This part of the letter is based on the use of a new test sample developed at ETH Zurich, Switzerland. This test sample displays a micrometre scaled pattern motivated by the resolving power of recent imaging XPS instruments.
KW - Grating method
KW - Imaging AES
KW - Imaging SIMS
KW - Imaging XPS
KW - Lateral resolution
KW - Narrow line method
KW - Noise in image
KW - Resolution criterion
KW - Straight edge method
PY - 2021
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-536330
DO - https://doi.org/10.1002/sia.7025
SN - 1096-9918
VL - 54
IS - 4
SP - 320
EP - 327
PB - Wiley
CY - Chichester
AN - OPUS4-53633
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Steiner, S.
A1 - Heldt, J.
A1 - Sobol, Oded
A1 - Unger, Wolfgang
A1 - Frömeling, T.
T1 - Influence of oxygen vacancies on core-shell formation in solid solutions of (Na,Bi)TiO3 and SrTiO3
N2 - Solid solutions of (Na,Bi)TiO3 (NBT) and SrTiO3 (ST) are materials of interest for high-strain or high-energy density capacitor applications. Often, they exhibit chemical heterogeneity and develop core-shell structures during regular solid-state synthesis with an NBT-rich core. In this case, the NBT forms first so that the strontium needs to diffuse into the material to reach chemical homogeneity. Depending on the presence of core-shell structures, the electrical properties can vary drastically. In this work, we rationalize the effect of variations in oxygen vacancy concentration by Fe-acceptor and Nb-donor doping. It can be shown that a diffusion couple of strontium and oxygen is responsible for chemical homogenization and that the oxygen vacancy content can control the formation of a core-shell structure.
KW - Lead-free ceramics
KW - Bismuth titanates
KW - Core-shell structures
KW - Diffusion/diffusivity
KW - Ferroelectricity/ferroelectric materials
PY - 2021
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-525988
DO - https://doi.org/10.1111/jace.17845
SP - 1
EP - 10
PB - Wiley Periodicals LLC, John Wiley & Sons, Inc.
AN - OPUS4-52598
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Robens-Radermacher, Annika
A1 - Held, Felix
A1 - Coelho Lima, Isabela
A1 - Titscher, Thomas
A1 - Unger, Jörg F.
T1 - Efficient identification of random fields coupling Bayesian inference and PGD reduced order model for damage localization
N2 - One of the main challenges regarding our civil infrastructure is the efficient operation over their complete design lifetime while complying with standards and safety regulations. Thus, costs for maintenance or replacements must be optimized while still ensuring specified safety levels. This requires an accurate estimate of the current state as well as a prognosis for the remaining useful life. Currently, this is often done by regular manual or visual inspections within constant intervals. However, the critical sections are often not directly accessible or impossible to be instrumented at all. Model‐based approaches can be used where a digital twin of the structure is set up. For these approaches, a key challenge is the calibration and validation of the numerical model based on uncertain measurement data. The aim of this contribution is to increase the efficiency of model updating by using the advantage of model reduction (Proper Generalized Decomposition, PGD) and applying the derived method for efficient model identification of a random stiffness field of a real bridge.”
KW - Model reduction
KW - Model updating
KW - Proper generalized decomposition
KW - Random field
KW - Variational Bayesian Inference
PY - 2021
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-521275
DO - https://doi.org/10.1002/pamm.202000063
VL - 20
IS - 1
SP - e202000063
PB - Wiley Online Libary
AN - OPUS4-52127
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Kricheldorf, H.
A1 - Weidner, Steffen
A1 - Meyer, A.
T1 - About alcohol-initiated polymerization of glycolide and separate crystallization of cyclic and linear polyglycolides
N2 - Alcohol-initiated polymerizations of glycolide (GL) catalyzed by tin(II) 2-ethylhexanoate (SnOct2) were carried out in bulk with variation of GA/In ratio, temperature and time. Due to a rather strong competition of cyclization polyglycolide (PGA) free of cycles were never obtained. When the cyclic catalysts 2,2-dibutal-2-stanna − 1,3-dithiolane (DSTL) or 2-stanna 1,3-dioxo-4,5,6,7 bibenzepane (SnBiph) were used in combination with 1,4-butanediol the influence of cyclization was even stronger. Furthermore, the degrees of polymerization were higher than the GA/alcohol ratio due to rapid polycondensation in the solid state. At 160 °C or below, the matrixassisted laser desorption/ionization time-of-flight (MALDI-TOF) mass spectra indicated separate crystallization of low molar mass cyclic and linear PGAs from the same reaction mixture (also observed for poly(L-lactide)s).
KW - MALDI TOF MS
KW - Polyglycolide
KW - Ring opening polymerization
KW - Cyclization
KW - Crystallization
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-607282
DO - https://doi.org/10.1016/j.polymer.2024.127440
VL - 309
SP - 1
EP - 9
PB - Elsevier Ltd.
AN - OPUS4-60728
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Wegner, Karl David
A1 - Dussert, F.
A1 - Truffier-Boutry, D.
A1 - Benayad, A.
A1 - Beal, D.
A1 - Mattera, L.
A1 - Ling, W. L.
A1 - Carrière, M.
A1 - Reiss, P.
T1 - Influence of the Core/Shell Structure of Indium Phosphide Based Quantum Dots on Their Photostability and Cytotoxicity
N2 - With the goal to improve their photostability, InP-based QDs are passivated with three types of inorganic shells, namely (i) a gradient ZnSexS1−x shell, (ii) an additional ZnS shell on top of the gradient shell with two different thicknesses (core/shell/shell, CSS), (iii) an alumina coating on top of ZnS. All three systems have photoluminescence Quantum yields (PLQY) > 50%and similar PL decay times (64–67 ns). To assess their photostability they are incorporated into a transparent poly (methyl methacrylate) (PMMA) matrix and exposed to continuous irradiation with simulated sunlight in a climate chamber. The alumina coated core/shell system exhibits the highest stability in terms of PLQY Retention as well as the lowest shift of the PL maximum and lowest increase of the PL linewidth, followed by the CSS QDs and finally the gradient shell system. By means of XPS studies we identify the degradation of the ZnS outer layer and concomitant xidation of the emissive InZnP core as the main origins of degradation in the gradient structure. These modifications do not occur in the case of the alumina-capped sample, which exhibits excellent chemical stability. The gradient shell and CSS systems could be transferred to the aqueous phase using surface ligand exchange with penicillamine. Cytotoxicity studies on human primary keratinocytes revealed that exposure for 24 h to 6.25–100 nM of QDs did not affect cell viability. However, a trend toward reduced cell proliferation is observed for higher concentrations of gradient shell and CSS QDs with a thin ZnS shell, while CSS QDs with a thicker ZnS shell do not exhibit any impact.
KW - Indium phosphide
KW - Quantum dots
KW - Cytotoxicity
KW - Photostability
PY - 2019
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-494249
DO - https://doi.org/10.3389/fchem.2019.00466
VL - 7
SP - Article Number: 466
PB - Frontiers Media SA
AN - OPUS4-49424
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Simon, Franz-Georg
A1 - Scholz, Philipp
T1 - Sequential Extraction of Incineration Bottom Ash: Conclusions Regarding Ecotoxicity
N2 - The classification of incineration bottom ash (IBA) as hazardous or non-hazardous according to ecotoxic hazard property HP14 is still under debate. In this context, only the compounds of Zn and Cu with the hazard statement code H410 are of relevance. With an approach based on the grouping of substances, it was shown that such substances are either readily water-soluble or slightly and sparingly soluble. The concentrations of readily soluble Cu and Zn compounds in IBA are far below the cut-off value of 0.1%. Slightly and sparingly soluble Zn and Cu compounds could be quantified in the first fraction of a four-step sequential extraction procedure. With the results from the complete sequence, the dimensionless synthesis toxicity index (STI) was calculated and was in the range of 494 to 1218 for the four investigated IBA samples. It was concluded that IBA can usually be classified as non-hazardous.
KW - Incineration bottom ash
KW - Hazard properties
KW - Ecotoxicity
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-605262
DO - https://doi.org/10.3390/app14135541
SN - 2076-3417
VL - 14
IS - 13
SP - 1
EP - 12
PB - MDPI
CY - Basel
AN - OPUS4-60526
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Hupp, Vitus
A1 - Schartel, Bernhard
A1 - Flothmeier, K.
A1 - Hartwig, A.
T1 - Pyrolysis and flammability of phosphorus based flame retardant pressure sensitive adhesives and adhesive tapes
N2 - Pressure-sensitive adhesive tapes are used in a variety of applications such as construction, aircrafts, railway vehicles, and ships, where flame retardancy is essential. Especially in these applications, phosphorus-based flame retardants are often chosen over halogenated ones due to their advantages in terms of toxicity. Although there are pressure-sensitive adhesives with phosphorus flame retardants available on the market, their flame-retardant modes of action and mechanisms are not entirely understood. This research article provides fundamental pyrolysis research of three phosphorus-based flame retardants that exhibit different mechanisms in a pressuresensitive adhesive matrix. The flame-retardants modes of action and mechanisms of a 9,10-dihydro-9-oxa-10-phosphaphenanthrene-10-oxide (DOPO) derivate, an aryl phosphate, and a self-synthesized, covalently bonded DOPO derivate (copolymerized) are investigated. The blended DOPO derivate is volatilized at rather low temperatures while the covalently bonded DOPO derivate decomposes together with the polymer matrix at the same temperature. Both DOPO derivates release PO radicals which are known for their flame inhibition. The aryl phosphate decomposes at higher temperatures, releases small amounts of aryl phosphates into the gas phase, and acts predominantly the condensed phase. The aryl phosphate acts as precursor for phosphoric acid and improves the charring of the pressure sensitive adhesive matrix. All flame retardants enhance the flammability of the adhesives depending on their individual mode of action while the covalently bonded flame retardant additionally improves the mechanical properties at elevated temperatures making it a promising future technology for pressure-sensitive adhesives.
KW - Pyrolysis of flame retardant
KW - Pyrolysis gas chromatography
KW - Mass spectrometry
KW - Phosphorus flame retardant
KW - Decomposition mechanism
KW - Flame retardant pressure sensitive adhesives
KW - Flame retardancy
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-607192
DO - https://doi.org/10.1016/j.jaap.2024.106658
SN - 0165-2370
SN - 1873-250X
VL - 181
SP - 1
EP - 31
PB - Elsevier B.V.
AN - OPUS4-60719
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Mohr, Gunther
A1 - Altenburg, Simon
A1 - Ulbricht, Alexander
A1 - Heinrich, Ph.
A1 - Baum, D.
A1 - Maierhofer, Christiane
A1 - Hilgenberg, Kai
T1 - In-Situ Defect Detection in Laser Powder Bed Fusion by Using Thermography and Optical Tomography—Comparison to Computed Tomography
N2 - Among additive manufacturing (AM) technologies, the laser powder bed fusion (L-PBF) is one of the most important technologies to produce metallic components. The layer-wise build-up of components and the complex process conditions increase the probability of the occurrence of defects. However, due to the iterative nature of its manufacturing process and in contrast to conventional manufacturing technologies such as casting, L-PBF offers unique opportunities for in-situ monitoring. In this study, two cameras were successfully tested simultaneously as a machine manufacturer independent process monitoring setup: a high-frequency infrared camera and a camera for long time exposure, working in the visible and infrared spectrum and equipped with a near infrared filter. An AISI 316L stainless steel specimen with integrated artificial defects has been monitored during the build. The acquired camera data was compared to data obtained by computed tomography. A promising and easy to use examination method for data analysis was developed and correlations between measured signals and defects were identified. Moreover, sources of possible data misinterpretation were specified. Lastly, attempts for automatic data analysis by data Integration are presented.
KW - Laser powder bed fusion (L-PBF)
KW - Selective laser melting (SLM)
KW - Additive manufacturing (AM)
KW - Process monitoring
KW - Infrared thermography
KW - Optical tomography
KW - Computed tomography (CT)
KW - Data fusion
KW - Lack-of-fusion
PY - 2020
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-502417
DO - https://doi.org/10.3390/met10010103
VL - 10
IS - 1
SP - 103
PB - MDPI
CY - Basel, Schweiz
AN - OPUS4-50241
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Ehlert, Christopher
A1 - Holzweber, Markus
A1 - Lippitz, Andreas
A1 - Unger, Wolfgang
A1 - Saalfrank, Peter
T1 - A detailed assignment of NEXAFS resonances of imidazolium based ionic liquids
N2 - In Near Edge X-Ray Absorption Fine Structure (NEXAFS) spectroscopy X-Ray photons are used to excite tightly bound core electrons to low-lying unoccupied orbitals of the system. This technique offers insight into the electronic structure of the system as well as useful structural information. In this work, we apply NEXAFS to two kinds of imidazolium based ionic liquids ([CnC₁im]⁺[NTf₂]⁻ and [C₄C₁im]⁺[I]⁻). A combination of measurements and quantum chemical calculations of C K and N K NEXAFS resonances is presented. The simulations, based on the transition potential density functional theory method (TP-DFT), reproduce all characteristic features observed by the experiment. Furthermore, a detailed assignment of resonance features to excitation centers (carbon or nitrogen atoms) leads to a consistent interpretation of the spectra.
KW - Ionic liquids
KW - NEXAFS
KW - DFT spectrum simulations
PY - 2016
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-367223
DO - https://doi.org/10.1039/c5cp07434g
SN - 1463-9076
SN - 1463-9084
VL - 18
IS - 12
SP - 8654
EP - 8661
PB - Royal Society of Chemistry
CY - Cambridge, UK
AN - OPUS4-36722
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Unger, Wolfgang
A1 - Beiranvand, Z.
A1 - Kakanejadifard, A.
A1 - Donskyi, Ievgen
A1 - Faghani, A.
A1 - Tu, Z.
A1 - Lippitz, Andreas
A1 - Sasanpour, P.
A1 - Maschietto, F.
A1 - Paulus, B.
A1 - Haag, R.
A1 - Adeli, M.
T1 - Functionalization of fullerene at room temperature: toward new carbon vectors with improved physicochemical properties
N2 - In this work, fullerene has been functionalized with cyanuric Chloride at room temperature by a nitrene mediated [2 + 1] cycloaddition reaction. The adduct after functionalization is inherently in the form of azafulleroid and shows broad UV absorption in the wavelength range of 200–800 nm, as well as photothermal conversion and fluorescence with a high quantum yield.
KW - Functionalization of fullerenes
KW - XPS
KW - NEXAFS
PY - 2016
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-387076
DO - https://doi.org/10.1039/c6ra23419d
SN - 2046-2069
VL - 6
IS - 114
SP - 112771
EP - 112775
PB - Royal Society of Chemistry (RSC)
AN - OPUS4-38707
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Schwarz, F.
A1 - Heinrich, Thomas
A1 - Lippitz, Andreas
A1 - Unger, Wolfgang
A1 - Schalley, C.
T1 - A photoswitchable rotaxane operating in monolayers on solid support
N2 - A novel photoswitchable rotaxane was synthesised and its switching behaviour in solution was analysed with NMR and UV-Vis. A monolayer of rotaxanes was deposited on glass surfaces and the on-surface photoswitching was investigated. Angle-resolved NEXAFS spectra revealed a preferential orientation that reversibly changes upon switching.
KW - XPS
KW - NEXAFS
KW - Photoswitchable rotaxane
KW - Self assembly
PY - 2016
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-386814
DO - https://doi.org/10.1039/c6cc08586e
SN - 0022-4936
SN - 1364-548X
SN - 0009-241x
SN - 1359-7345
VL - 52
IS - 100
SP - 14458
EP - 14461
PB - Royal Society of Chemistry (RSC)
AN - OPUS4-38681
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Röhsler, Andreas
A1 - Sobol, Oded
A1 - Unger, Wolfgang
A1 - Böllinghaus, Thomas
T1 - Comprehensive study of deuterium-induced effects in in austenitic stainless steel AISI 304L
N2 - The damaging impact of hydrogen on the austenitic stainless steel AISI 304 L was analysed.
To this aim, samples were charged electrochemically with the hydrogen isotope deuterium (2H, D) and examined with time-of-flight secondary ion mass spectrometry (ToF-SIMS) and electron backscatter diffraction (EBSD). The fusion of the obtained chemical and structural information revealed local enrichment of deuterium in austenite, transformation into martensite, crack formation and severe roughening of the specimen surface. The results indicated that martensite was not only formed during charging but also during Desorption and ToF-SIMS examinations. Furthermore, cross-sections of deuterium-charged samples revealed that in preferred deformation bands a g/ε/a 0 evolution is taking place.
By means of microscopic analyses and carrier gas hot extraction (CGHE), it was found that the use of NaAsO2 as recombination poison decreased the uptake of hydrogen significantly and resulted in severe precipitation on the specimen surfaces. This is in contrast to the popular presumption that NaAsO2 enhances the uptake of hydrogen (and
deuterium) during electrochemical charging by hampering its recombination from Atoms to molecules.
KW - AISI 304L
KW - Hydrogen
KW - ToF-SIMS
KW - Deuterium
KW - Martensite
PY - 2019
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-477540
DO - https://doi.org/10.1016/j.ijhydene.2019.03.058
SN - 0360-3199
SN - 1879-3487
VL - 44
IS - 23
SP - 12228
EP - 12238
PB - Elsevier Ltd.
AN - OPUS4-47754
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Müller, Anja
A1 - Swaraj, S.
A1 - Sparnacci, K.
A1 - Unger, Wolfgang
T1 - Shell thickness determination for PTFE‐PS core‐shell nanoparticles using scanning transmission X‐ray microscopy (STXM)
N2 - A scanning transmission X‐ray microscopy (STXM)‐based methodology is introduced for determining the dimensions (shell thickness, core and total diameter) of core‐shell nanoparticles, which exhibit a strong X‐ray absorption contrast and a well‐defined interface between core and shell material. A low radiation dosage during data acquisition and, therefore, less X‐ray beam‐induced damage of the sample is achieved by recording STXM images only at 2 predetermined energies of maximum Absorption contrast, instead of recording a stack of images across the whole absorption edge.
A model core‐shell nanoparticle, polytetrafluoroethylene (PTFE) cores with polystyrene (PS) shell, is used for demonstration. Near‐edge X‐ray absorption fine structure spectroscopy confirms the significant difference in X‐ray absorption behavior between PTFE and PS. Additionally, because of the insolubility of styrene in PTFE a well‐defined interface between particle core and shell is expected. To validate the STXM results, both the naked PTFE cores as well as the complete core‐shell nanoparticles are examined by scanning electron microscopy (SEM). The introduced STXM‐based methodology yields particle dimensions in agreement with the SEM results and provides additional information such as the position of the particle core, which cannot be extracted from a SEM micrograph.
T2 - European conference on applications of surface and interface analysis (ECASIA'17)
CY - Montpellier, France
DA - 24.09.2017
KW - Core-shell nanoparticles
KW - Polymers
KW - PS
KW - PTFE
KW - SEM
KW - STXM
PY - 2018
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-449700
DO - https://doi.org/10.1002/sia.6464
SN - 1096-9918
SN - 0142-2421
VL - 50
IS - 11
SP - 1077
EP - 1082
PB - John Wiley & Sons
CY - Hoboken, New Jersey, USA
AN - OPUS4-44970
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Kjaervik, Marit
A1 - Schwibbert, Karin
A1 - Dietrich, P.
A1 - Thissen, A.
A1 - Unger, Wolfgang
T1 - Surface characterisation of Escherichia coli under various conditions by near-ambient pressure XPS
N2 - Bacteria are inherently in a hydrated state and therefore not compatible to ultra-high vacuum techniques such as XPS without prior sample preparation involving freeze drying or fast freezing.
This has changed with the development of near-ambient pressure (NAP)-XPS, which makes it possible to characterise the bacterial surface with minimal sample preparation. This paper presents NAP-XPS measurements of Escherichia coli under various NAP conditions: at 11 mbar in a humid environment, at 2 mbar after drying in the chamber, pre-dried at 4 mbar, and at 1 mbar after overnight pumping at 10^−4 mbar. The high-resolution spectra of carbon, nitrogen, and oxygen are presented and found to be in general agreement with XPS measurements from freeze-dried and fast-frozen bacteria. However, it was found that the amount of carbon components associated with polysaccharides increases relative to aliphatic carbon during drying and increases further after overnight pumping. This implies that drying has an impact on the bacterial surface.
T2 - European conference on applications of surface and interface analysis (ECASIA'17)
CY - Montpellier, France
DA - 24.09.2018
KW - Bacteria
KW - E. coli
KW - NAP-XPS
PY - 2018
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-454047
DO - https://doi.org/10.1002/sia.6480
SN - 0142-2421
SN - 1096-9918
VL - 50
IS - 11
SP - 996
EP - 1000
PB - John Wiley & Sons
CY - Hoboken, New Jersey, USA
AN - OPUS4-45404
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Afantitis, A.
A1 - Melagraki, G.
A1 - Isigonis, P.
A1 - Tsoumanis, A.
A1 - Varsou, D. D.
A1 - Valsami-Jones, E.
A1 - Papadiamantis, A.
A1 - Ellis, L.-J. A.
A1 - Sarimveis, H.
A1 - Doganis, P.
A1 - Karatzas, P.
A1 - Tsiros, P.
A1 - Liampa, I.
A1 - Lobaskin, V.
A1 - Greco, D.
A1 - Serra, A.
A1 - Kinaret, P. A. S.
A1 - Saarimäki, L. A.
A1 - Grafström, R.
A1 - Kohonen, P.
A1 - Nymark, P.
A1 - Willighagen, E.
A1 - Puzyn, T.
A1 - Rybinska-Fryca, A.
A1 - Lyubartsev, A.
A1 - Jensen, K. A.
A1 - Brandenburg, J. G.
A1 - Lofts, S.
A1 - Svendsen, C.
A1 - Harrison, S.
A1 - Maier, D.
A1 - Tamm, K.
A1 - Jänes, J.
A1 - Sikk, L.
A1 - Dusinska, M.
A1 - Longhin, E.
A1 - Rundén-Pran, E.
A1 - Mariussen, E.
A1 - El Yamani, N.
A1 - Unger, Wolfgang
A1 - Radnik, Jörg
A1 - Tropsha, A.
A1 - Cohen, Y.
A1 - Lesczynski, J.
A1 - Hendren, C. O.
A1 - Wiesner, M.
A1 - Winkler, D.
A1 - Suzuki, N.
A1 - Yoon, T. H.
A1 - Choi, J.-S.
A1 - Sanabria, N.
A1 - Gulumian, M.
A1 - Lynch, I.
T1 - NanoSolveIT Project: Driving nanoinformatics research to develop innovative and integrated tools for in silico nanosafety assessment
N2 - Nanotechnology has enabled the discovery of a multitude of novel materials exhibiting unique physicochemical (PChem) properties compared to their bulk analogues. These properties have led to a rapidly increasing range of commercial applications; this, however, may come at a cost, if an association to long-term health and environmental risks is discovered or even just perceived. Many nanomaterials (NMs) have not yet had their potential adverse biological effects fully assessed, due to costs and time constraints associated with the experimental assessment, frequently involving animals. Here, the available NM libraries are analyzed for their suitability for integration with novel nanoinformatics approaches and for the development of NM specific Integrated Approaches to Testing and Assessment (IATA) for human and environmental risk assessment, all within the NanoSolveIT cloud-platform. These established and well-characterized NM libraries (e.g. NanoMILE, NanoSolutions, NANoREG, NanoFASE, caLIBRAte, NanoTEST and the Nanomaterial Registry (>2000 NMs)) contain physicochemical characterization data as well as data for several relevant biological endpoints, assessed in part using harmonized Organisation for Economic Co-operation and Development (OECD) methods and test guidelines.
Integration of such extensive NM information sources with the latest nanoinformatics methods will allow NanoSolveIT to model the relationships between NM structure (morphology), properties and their adverse effects and to predict the effects of other NMs for which less data is available. The project specifically addresses the needs of regulatory agencies and industry to effectively and rapidly evaluate the exposure, NM hazard and risk from nanomaterials and nano-enabled products, enabling implementation of computational ‘safe-by-design’ approaches to facilitate NM commercialization.
KW - Nanoinformatics
KW - Hazard assessment
KW - (Quantitative) Structure-Active Relationships
KW - Safe-by-design
KW - Predictive modelling
PY - 2020
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-505952
DO - https://doi.org/10.1016/j.csbj.2020.02.023
VL - 18
SP - 583
EP - 602
PB - Elsevier B.V.
AN - OPUS4-50595
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Robens-Radermacher, Annika
A1 - Unger, Jörg F.
T1 - Efficient structural reliability analysis by using a PGD model in an adaptive importance sampling schema
N2 - One of the most important goals in civil engineering is to guarantee the safety of the construction. Standards prescribe a required failure probability in the order of 10−4 to 10−6. Generally, it is not possible to compute the failure probability analytically.
Therefore, many approximation methods have been developed to estimate the failure probability. Nevertheless, these methods still require a large number of evaluations of the investigated structure, usually finite element (FE) simulations, making full probabilistic design studies not feasible for relevant applications. The aim of this paper is to increase the efficiency of structural reliability analysis by means of reduced order models. The developed method paves the way for using full probabilistic approaches in industrial applications. In the proposed PGD reliability analysis, the solution of the structural computation is directly obtained from evaluating the PGD solution for a specific parameter set without computing a full FE simulation. Additionally, an adaptive importance sampling scheme is used to minimize the total number of required samples. The accuracy of the failure probability depends on the accuracy of the PGD model (mainly influenced on mesh discretization and mode truncation) as well as the number of samples in the sampling algorithm. Therefore, a general iterative PGD reliability procedure is developed to automatically verify the accuracy of the computed failure probability. It is based on a goal-oriented refinement of the PGD model around the adaptively approximated design point. The methodology is applied and evaluated for 1D and 2D examples. The computational savings compared to the method based on a FE model is shown and the influence of the accuracy of the PGD model on the failure probability is studied.
KW - Reliability
KW - Probability of failure
KW - Adaptive importance sampling
KW - Reduced order models
KW - Proper Generalized Decomposition
PY - 2020
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-510345
DO - https://doi.org/10.1186/s40323-020-00168-z
VL - 7
SP - Article number: 29
PB - SpringerOpen
AN - OPUS4-51034
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Müller, Anja
A1 - Heinrich, Thomas
A1 - Tougaard, S.
A1 - Werner, W. S. M.
A1 - Hronek, M.
A1 - Kunz, Valentin
A1 - Radnik, Jörg
A1 - Stockmann, Jörg M.
A1 - Hodoroaba, Vasile-Dan
A1 - Benemann, Sigrid
A1 - Nirmalananthan-Budau, Nithiya
A1 - Geißler, Daniel
A1 - Sparnacci, K.
A1 - Unger, Wolfgang
T1 - Determining the thickness and completeness of the shell of polymer core-shell nanoparticles by X-ray photoelectron spectroscopy, secondary ion mass spectrometry, and transmission scanning electron microscopy
N2 - Core–shell nanoparticles (CSNPs) have become indispensable in various industrial applications. However, their real internal structure usually deviates from an ideal core–shell structure. To control how the particles perform with regard to their specific applications, characterization techniques are required that can distinguish an ideal from a nonideal morphology. In this work, we investigated poly(tetrafluoroethylene)–poly(methyl methacrylate) (PTFE–PMMA) and poly(tetrafluoroethylene)–polystyrene (PTFE–PS) polymer CSNPs with a constant core diameter (45 nm) but varying shell thicknesses (4–50 nm). As confirmed by transmission scanning electron microscopy (T-SEM), the shell completely covers the core for the PTFE–PMMA nanoparticles, while the encapsulation of the core by the shell material is incomplete for the PTFE–PS nanoparticles. X-ray photoelectron spectroscopy (XPS) was applied to determine the shell thickness of the nanoparticles. The software SESSA v2.0 was used to analyze the intensities of the elastic peaks, and the QUASES software package was employed to evaluate the shape of the inelastic background in the XPS survey spectra. For the first time, nanoparticle shell thicknesses are presented, which are exclusively based on the analysis of the XPS inelastic background. Furthermore, principal component analysis (PCA)-assisted time-of-flight secondary-ion mass spectrometry (ToF-SIMS) of the PTFE–PS nanoparticle sample set revealed a systematic variation among the samples and, thus, confirmed the incomplete encapsulation of the core by the shell material. As opposed to that, no variation is observed in the PCA score plots of the PTFE–PMMA nanoparticle sample set. Consequently, the complete coverage of the core by the shell material is proved by ToF-SIMS with a certainty that cannot be achieved by XPS and T-SEM.
KW - XPS
KW - T-SEM
KW - ToF-SIMS
KW - Core-shell nanoparticles
PY - 2019
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-499165
DO - https://doi.org/10.1021/acs.jpcc.9b09258
VL - 123
IS - 49
SP - 29765
EP - 29775
PB - American Chemical Society
CY - Washington, DC
AN - OPUS4-49916
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Tu, Z.
A1 - Donskyi, Ievgen
A1 - Qiao, H.
A1 - Zhu, Z.
A1 - Unger, Wolfgang
A1 - Hackenberger, C. P. R.
A1 - Chen, W.
A1 - Adeli, M.
A1 - Haag, R.
T1 - Graphene Oxide-Cyclic R10 Peptide Nuclear Translocation Nanoplatforms for the Surmounting of Multiple-Drug Resistance
N2 - Multidrug resistance resulting from a variety of defensive pathways in Cancer has become a global concern with a considerable impact on the mortality associated with the failure of traditional chemotherapy. Therefore, further research and new therapies are required to overcome this challenge. In this work, a cyclic R10 peptide (cR10) is conjugated to polyglycerol-covered nanographene oxide to engineer a nanoplatform for the surmounting of multidrug resistance. The nuclear translocation of the nanoplatform, facilitated by cR10 peptide, and subsequently, a laser-triggered release of the loaded doxorubicin result in efficient anticancer activity confirmed by both in vitro and in vivo experiments. The synthesized nanoplatform with a combination of different features, including active nucleus-targeting, highloading capacity, controlled release of cargo, and photothermal property, provides a new strategy for circumventing multidrug resistant cancers.
KW - Graphen Oxide
KW - Nanoplatform
KW - Cancer
PY - 2020
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-510061
DO - https://doi.org/10.1002/adfm.202000933
VL - 30
IS - 35
SP - 2000933
PB - Wiley VCH
AN - OPUS4-51006
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Otto, Peter
A1 - de Lorenzis, L.
A1 - Unger, Jörg F.
T1 - Explicit dynamics in impact simulation using a NURBS contact interface
N2 - In this paper, the impact problem and the subsequent wave Propagation are considered. For the contact discretization an intermediate non-uniform rational B-spline (NURBS) layer is added between the contacting finite element bodies, which allows a smooth contact formulation and efficient element-based integration.
The impact event is ill-posed and requires a regularization to avoid propagating stress oscillations. A nonlinear mesh-dependent penalty regularization is used, where the stiffness of the penalty regularization increases upon mesh refinement. Explicit time integration methods are well suited for wave propagation problems, but are efficient only for diagonal mass matrices. Using a spectral element discretization in combination with a NURBS contact layer the bulk part of the mass matrix is diagonal.
KW - Explicit dynamics
KW - Impact simulation
KW - Isogeometric analysis
KW - mortar method
KW - spectral elements
PY - 2019
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-506041
DO - https://doi.org/10.1002/nme.6264
VL - 121
IS - 6
SP - 1248
EP - 1267
PB - Wiley Online Libary
AN - OPUS4-50604
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Otto, Peter
A1 - Lorenzis, L.
A1 - Unger, Jörg F.
T1 - Explicit dynamics in impact simulation using a NURBS contact interface
N2 - In this paper, the impact problem and the subsequent wave propagation are considered. For the contact discretization an intermediate NURBS layer is added between the contacting finite element bodies, which allows a smooth contact formulation and efficient element‐based integration. The impact event is ill‐posed and requires a regularization to avoid propagating stress oscillations. A nonlinear mesh dependent penalty regularization is used, where the stiffness of the penalty regularization increases upon mesh refinement. Explicit time integration methods are well suited for wave propagation problems, but are efficient only for diagonal mass matrices. Using a spectral element discretization and the coupled FE‐NURBS approach the bulk part of the mass matrix is diagonal.
KW - Impact simulation
KW - Explicit dynamics
KW - Isogeometric analysis
KW - Spectral elements
KW - Mortar method
PY - 2019
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-494947
DO - https://doi.org/10.1002/nme.6264
SP - 1
EP - 21
PB - Wiley Online Libary
AN - OPUS4-49494
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Stockmann, Jörg M.
A1 - Radnik, Jörg
A1 - Bütefisch, S.
A1 - Busch, I.
A1 - Weimann, T.
A1 - Passiu, C.
A1 - Rossi, A.
A1 - Unger, Wolfgang
T1 - A new test specimen for the determination of the field of view of small-area X-ray photoelectron spectrometers
N2 - Small-area/spot photoelectron spectroscopy (SAXPS) is a powerful tool for the investigation of small surface features like microstructures of electronic devices, sensors or other functional surfaces, and so forth. For evaluating the quality of such microstructures, it is often crucial to know whether a small signal in a spectrum is an unwanted contamination of the field of view (FoV), defined by the instrument settings, or it originated from outside. To address this issue, the d80/20 parameter of a line scan across a chemical edge is often used. However, the typical d80/20 parameter does not give information on contributions from the long tails of the X-ray beam intensity distribution or the electron-optical system as defined by apertures. In the VAMAS TWA2 A22 project “Applying planar, patterned, multi-metallic samples to assess the impact of analysis area in surface-chemical analysis,” new test specimen was developed and tested. The here presented testing material consists of a silicon wafer substrate with an Au-film and embedded Cr circular and square spots with decreasing dimensions from 200 μm down to 5 μm. The spot sizes are traceable to the length unit due to size measurements with a metrological SEM. For the evaluation of the FoV, we determined the Au4f intensities measured with the center of the FoV aligned with the center of the spot and normalized to the Au4f intensity determined on the Au-film. With this test specimen, it was possible to characterize, as an example, the FoV of a Kratos AXIS Ultra DLD XPS instrument.
T2 - ECASIA 2019
CY - Dresden, Germany
DA - 15.09.2019
KW - Field of view
KW - Reference material
KW - Selected area XPS
KW - Small-area XPS
KW - Small-spot XPS
PY - 2020
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-509902
DO - https://doi.org/10.1002/sia.6831
SN - 1096-9918
VL - 52
IS - 12
SP - 890
EP - 894
PB - John Wiley & Sons Ltd
AN - OPUS4-50990
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Ahmadi, Samim
A1 - Thummerer, G.
A1 - Breitwieser, S.
A1 - Mayr, G.
A1 - Lecompagnon, Julien
A1 - Burgholzer, P.
A1 - Jung, P.
A1 - Caire, G.
A1 - Ziegler, Mathias
T1 - Multi-dimensional reconstruction of internal defects in additively manufactured steel using photothermal super resolution combined with virtual wave based image processing
N2 - We combine three different approaches to greatly enhance the defect reconstruction ability of active thermographic testing. As experimental approach, laser-based structured illumination is performed in a step-wise manner. As an intermediate signal processing step, the virtual wave concept is used in order to effectively convert the notoriously difficult to solve diffusion-based inverse problem into a somewhat milder wavebased inverse problem. As a final step, a compressed-sensing based optimization procedure is applied which efficiently solves the inverse problem by making advantage of the joint sparsity of multiple blind measurements. To evaluate our proposed processing technique, we investigate an additively manufactured stainless steel sample with eight internal defects. The concerted super resolution approach is compared to conventional thermographic reconstruction techniques and shows an at least four times better spatial resolution.
KW - Active thermography
KW - Additive manufacturing
KW - Stainless steel
KW - ADMM
KW - Block regularization
KW - Internal defects
KW - Joint sparsity
KW - Laser excitation
KW - Multi-dimensional reconstruction
KW - Photothermal super resolution
KW - Virtual waves
PY - 2021
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-525330
DO - https://doi.org/10.1109/tii.2021.3054411
SN - 1551-3203
SN - 1941-0050
VL - 17
IS - 11
SP - 7368
EP - 7378
PB - IEEE
CY - New York, NY
AN - OPUS4-52533
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Mohr, Gunther
A1 - Nowakowski, Susanna
A1 - Altenburg, Simon
A1 - Maierhofer, Christiane
A1 - Hilgenberg, Kai
T1 - Experimental Determination of the Emissivity of Powder Layers and Bulk Material in Laser Powder Bed Fusion Using Infrared Thermography and Thermocouples
N2 - Recording the temperature distribution of the layer under construction during laser powder bed fusion (L-PBF) is of utmost interest for a deep process understanding as well as for quality assurance and in situ monitoring means. While having a notable number of thermal monitoring approaches in additive manufacturing (AM), attempts at temperature calibration and emissivity determination are relatively rare. This study aims for the experimental temperature adjustment of an off-axis infrared (IR) thermography setup used for in situ thermal data acquisition in L-PBF processes. The temperature adjustment was conducted by means of the so-called contact method using thermocouples at two different surface conditions and two different materials: AISI 316L L-PBF bulk surface, AISI 316L powder surface, and IN718 powder surface. The apparent emissivity values for the particular setup were determined. For the first time, also corrected, closer to real emissivity values of the bulk or powder surface condition are published. In the temperature region from approximately 150 °C to 580 °C, the corrected emissivity was determined in a range from 0.2 to 0.25 for a 316L L-PBF bulk surface, in a range from 0.37 to 0.45 for 316L powder layer, and in a range from 0.37 to 0.4 for IN718 powder layer.
KW - Emisssivity
KW - Laser Powder Bed Fusion (L-PBF)
KW - Selective Laser Melting (SLM)
KW - Additive Manufacturing (AM)
KW - Process monitoring
KW - Infrared thermography
PY - 2020
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-516148
DO - https://doi.org/10.3390/met10111546
VL - 10
IS - 11
SP - 1546
PB - MDPI
CY - Basel, Schweiz
AN - OPUS4-51614
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Ulbricht, Alexander
A1 - Mohr, Gunther
A1 - Altenburg, Simon
A1 - Oster, Simon
A1 - Maierhofer, Christiane
A1 - Bruno, Giovanni
ED - Czujko, T.
ED - Benedetti, M.
T1 - Can Potential Defects in LPBF Be Healed from the Laser Exposure of Subsequent Layers? A Quantitative Study
N2 - Additive manufacturing (AM) of metals and in particular laser powder bed fusion (LPBF) enables a degree of freedom in design unparalleled by conventional subtractive methods. To ensure that the designed precision is matched by the produced LPBF parts, a full understanding of the interaction between the laser and the feedstock powder is needed. It has been shown that the laser also melts subjacent layers of material underneath. This effect plays a key role when designing small cavities or overhanging structures, because, in these cases, the material underneath is feed-stock powder. In this study, we quantify the extension of the melt pool during laser illumination of powder layers and the defect spatial distribution in a cylindrical specimen. During the LPBF process, several layers were intentionally not exposed to the laser beam at various locations, while the build process was monitored by thermography and optical tomography. The cylinder was finally scanned by X-ray computed tomography (XCT). To correlate the positions of the unmolten layers in the part, a staircase was manufactured around the cylinder for easier registration. The results show that healing among layers occurs if a scan strategy is applied, where the orientation of the hatches is changed for each subsequent layer. They also show that small pores and surface roughness of solidified material below a thick layer of unmolten material (>200 µm) serve as seeding points for larger voids. The orientation of the first two layers fully exposed after a thick layer of unmolten powder shapes the orientation of these voids, created by a lack of fusion.
KW - Computed tomography
KW - Laser Powder Bed Fusion
KW - In situ monitoring
KW - infrared Thermography
KW - Optical Tomography
KW - Additive manufacturing
KW - AISI 316L
PY - 2021
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-528778
DO - https://doi.org/10.3390/met11071012
VL - 11
IS - 7
SP - 1012
PB - MDPI
CY - Basel
AN - OPUS4-52877
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Altenburg, Simon
A1 - Straße, Anne
A1 - Gumenyuk, Andrey
A1 - Maierhofer, Christiane
T1 - In-situ monitoring of a laser metal deposition (LMD) process: comparison of MWIR, SWIR and high-speed NIR thermography
N2 - Additive manufacturing offers a range of novel applications. However, the manufacturing process is complex and the production of almost defect-free parts with high reliability and durability is still a challenge. Thermography is a valuable tool for process surveillance, especially in metal additive manufacturing processes. The high process temperatures allow one to use cameras usually operating in the visible spectral range. Here, we compare the results of measurements during the manufacturing process of a commercial laser metal deposition setup using a mid wavelength infrared camera with those from a short wavelength infrared camera and those from a visual spectrum high-speed camera with band pass filter in the near infrared range.
KW - Additive Manufacturing
KW - Process monitoring
KW - Thermography
KW - LMD
KW - Metal
KW - MWIR
KW - SWIR
KW - NIR
PY - 2020
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-516318
DO - https://doi.org/10.1080/17686733.2020.1829889
VL - 19
IS - 2
SP - 97
EP - 114
PB - Taylor & Francis Group
CY - London, UK
AN - OPUS4-51631
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Ahmadi, Samim
A1 - Lecompagnon, Julien
A1 - Hirsch, Philipp Daniel
A1 - Burgholzer, P.
A1 - Jung, P.
A1 - Caire, G.
A1 - Ziegler, Mathias
T1 - Laser excited super resolution thermal imaging for nondestructive inspection of internal defects
N2 - A photothermal super resolution technique is proposed for an improved inspection of internal defects. To evaluate the potential of the laser-based thermographic technique, an additively manufactured stainless steel specimen with closely spaced internal cavities is used. Four different experimental configurations in transmission, reflection, stepwise and continuous scanning are investigated. The applied image post-processing method is based on compressed sensing and makes use of the block sparsity from multiple measurement events. This concerted approach of experimental measurement strategy and numerical optimization enables the resolution of internal defects and outperforms conventional thermographic inspection techniques.
KW - Super Resolution
KW - Laser Thermography
KW - Non Destructive Testing
KW - Comressed Sensing
KW - Inverse Problem
KW - Thermography
PY - 2020
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-519016
DO - https://doi.org/10.1038/s41598-020-77979-y
VL - 10
IS - 1
SP - 22357
PB - Springer Nature
AN - OPUS4-51901
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Rothbart, Nick
A1 - Maierhofer, Christiane
A1 - Goldammer, M.
A1 - Hohlstein, F.
A1 - Koch, J.
A1 - Kryukov, I.
A1 - Mahler, G.
A1 - Stotter, B.
A1 - Oswald-Tranta, B.
A1 - Sengebusch, M.
T1 - A round robin test of flash thermography of CFRP and metal structures
N2 - Within the scope of a DIN INS project, a flash thermography round robin test that evaluates reliability, comparability and efficiency of different testing situations is organized. The results give information about the detectability of defects e.g. by their size and depth, the evaluation method and by the materials used. Besides, the influence of equipment and parameters used by the participants on the results were analysed. All of the quantitative results as well as the feedback given by the participants will be presented in a DIN committee in order to contribute to a flash thermography standard.
T2 - 7th International Symposium on NDT in Aerospace
CY - Bremen, Germany
DA - 16.11.2015
KW - Flash thermography
KW - Round robin test
KW - Metal
KW - Flat bottom holes
KW - SNR
PY - 2016
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-351070
UR - https://www.ndt.net/?id=18921
SN - 1435-4934
VL - 21
IS - 4
SP - 1
EP - 8
PB - NDT.net
CY - Kirchwald
AN - OPUS4-35107
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Stroh, Julia
A1 - Ali, Naveed Zafar
A1 - Maierhofer, Christiane
A1 - Emmerling, Franziska
T1 - Ettringite via Mechanochemistry: A Green and Rapid Approach for Industrial Application
N2 - Here, we report on a first mechanochemical synthesis of ettringite, an important cement hydrate phase. The mineral compound ettringite ([Ca3Al(OH)6]2·(SO4)3·26H2O) occurs rarely in nature, but is common for cement-based materials. Ettringite has wide technical application in the ceramic and paper industry. However, its typical wet-chemical synthesis is cumbersome and produces waste water and CO2 emissions. Here, we investigate the first mechanochemical synthesis of ettringite for developing an easy and sustainable alternative for industrial application. The mechanosynthesis was monitored in situ by coupled synchrotron X-ray diffraction (XRD) and infrared thermography (IRT). The consumption of the reactants and the formation of the reaction product were monitored with time-resolved XRD. IRT showed the temperature increase based on the exothermic reaction. The reaction conversion was significantly improved changing the strategy of the mechanosynthesis from a one- to a two-step process. The latter included neat pregrinding of solid reactants followed by a delayed addition of the stoichiometric amount of water. Thus, an increase of reaction conversion from 34 to 94% of ettringite could be achieved.
KW - XRD
KW - Mechanochemistry
KW - Ettringite
KW - In situ
PY - 2019
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-479016
DO - https://doi.org/10.1021/acsomega.9b00560
SN - 2470-1343
VL - 4
IS - 4
SP - 7734
EP - 7737
PB - ACS Publications
CY - Washington, DC
AN - OPUS4-47901
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - da Costa, P. F. G. M.
A1 - Merízio, L. G.
A1 - Wolff, N.
A1 - Terraschke, H.
A1 - de Camargo, Andrea Simone Stucchi
T1 - Real-time monitoring of CdTe quantum dots growth in aqueous solution
N2 - Quantum dots (QDs) are remarkable semiconductor nanoparticles, whose optical properties are strongly size-dependent. Therefore, the real-time monitoring of crystal growth pathway during synthesis gives an excellent opportunity to a smart design of the QDs luminescence. In this work, we present a new approach for monitoring the formation of QDs in aqueous solution up to 90 °C, through in situ luminescence analysis, using CdTe as a model system. This technique allows a detailed examination of the evolution of their light emission. In contrast to in situ absorbance analysis, the in situ luminescence measurements in reflection geometry are particularly advantageous once they are not hindered by the concentration increase of the colloidal suspension. The synthesized particles were additionally characterized using X-ray diffraction analysis, transition electron microscopy, UV-Vis absorption and infrared spectroscopy. The infrared spectra showed that 3-mercaptopropionic acid (MPA)-based thiols are covalently bound on the surface of QDs and microscopy revealed the formation of CdS. Setting a total of 3 h of reaction time, for instance, the QDs synthesized at 70, 80 and 90 °C exhibit emission maxima centered at 550, 600 and 655 nm. The in situ monitoring approach opens doors for a more precise achievement of the desired emission wavelength of QDs.
KW - CdTe quantum dots
KW - In situ synthesis
KW - Real time growth control
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-603596
DO - https://doi.org/10.1038/s41598-024-57810-8
SN - 2045-2322
VL - 14
IS - 1
SP - 1
EP - 11
PB - Springer Science and Business Media LLC
AN - OPUS4-60359
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Becker, Tina
A1 - Breese, Philipp Peter
A1 - Metz, Christian
A1 - Altenburg, Simon
T1 - In-situ monitoring for PBF-LB/M processes: Does multispectral optical tomography add value in recognizing process deviations?
N2 - Laser powder bed fusion of metallic components (PBF-LB/M) is gaining acceptance in industry. However, the high costs and lengthy qualification processes required for printed components create the need for more effective in-situ monitoring and testing methods. This article proposes multispectral Optical Tomography (OT) as a new approach for monitoring the PBF-LB/M process. Compared to other methods, OT is a low-cost process monitoring method that uses long-time exposure imaging to observe the build process. However, it lacks time resolution compared to expensive thermographic sensor systems. Monochromatic OT (1C-OT) is already commercially available and observes the building process layer-wise using a single wavelength window in the NIR range. Multispectral OT (nC-OT) utilizes a similar setup but can measure multiple wavelength ranges per location simultaneously. By comparing the classical 1C-OT and nC-OT approaches, this article examines the advantages of nC-OT (two channel OT and RGB-OT) in reducing the false positive rate for process deviations and approximating maximum temperatures for a better comparison between different build processes and materials. This could ultimately reduce costs and time for part qualification. The main goal of this contribution is to assess the advantages of nC-OT compared to 1C-OT for in-situ process monitoring of PBF-LB/M.
T2 - Nolamp 2023
CY - Turku, Finland
DA - 22.08.2023
KW - Thermography
KW - Process Monitoring
KW - Additive manufacturing
KW - BPF-LB/M
KW - In-situ
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-592498
DO - https://doi.org/10.1088/1757-899X/1296/1/012008
VL - 1296
SP - 1
EP - 11
PB - IOP Publishing
CY - Bristol, UK
AN - OPUS4-59249
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Dopffel, N.
A1 - An Stepec, Biwen Annie
A1 - de Rezende, J.
A1 - Machado de Sousa, D.
A1 - Koerdt, Andrea
T1 - Microbiology of Underground Hydrogen Storage
N2 - Climate change is becoming one of the greatest challenges facing our society, particularly due to the continued use of fossil fuels. The steadily increasing demand for energy and the continuously growing world population will further intensify these challenges. The development of renewable energies is therefore of central importance. The 2020 EU Energy Roadmap aims to increase the share of renewable energies (gross energy consumption) to 55% by 2050.
Hydrogen (H2) has the highest potential to become the primary renewable energy source. It is envisioned that by 2050 up to 24% of the total energy demand of Europe is to be ensured by H2. However, a decisive disadvantage of the climate friendly alternatives is the massive containment demand, which needs to be highly secure, cost efficient and easily extractable.
Underground geological formations (UGF) represent a seemingly optimal alternative to meet the rapidly increasing storage demand. In this context, many studies are currently underway to determine the feasibility and risks of UGF. However, little or no consideration is being given to microbiology. Therefore, in this Research Topic we will focus on achieving a greater understanding of the impact microorganisms exert on UGF, with a particular emphasis on interdisciplinary studies.
As many subsurface microbial communities can use H2 as an electron donor, production of seemingly undesirable metabolic byproducts, such as hydrogen sulfide, methane, and acids, are also to be expected. However, the rate of the H2 conversion by the microorganisms, how their metabolic activities impact the UGF on a short-term and long-term scale, the extent of damages microorganisms exert on the infrastructure, or potential use of microorganisms to enhance UGF are just a few questions that require urgent research to assess the role of microorganisms in this new anthropogenic use of the subsurface environment. These and many questions can be addressed in this article collection. In particular, understanding microbial community changes and activity rates will help assess operational and environmental risks, develop mitigation strategies and provide new insights on life under extreme conditions (i.e., pressure, salinity).
In this Research Topic, the editorial team particularly welcomes Original Research, Hypothesis and Theory, Method, and Review manuscripts that deal with the latest advances in microbiology in formations that are planned or currently prepared for hydrogen storage, from both fundamental and practical points of view. The ultimate objective is to promote a deeper understanding into the sustainability of UGF and generate interdisciplinary research involving microbiologists, reservoir engineers, geologists, chemists, physicists.
The topics of interest include, but are not limited to:
• Microbial diversity in different underground hydrogen storage sites or formations currently being considered for hydrogen storage
• Mechanism and impact of microbial growth under high H2 pressure
• Potential role of microorganisms in the short-term and long-term storage of hydrogen
• Potential influences of microorganisms on the hydrogen storage infrastructure systems, e.g., microbiologically influenced corrosion, biofilm growth
• Hydrogen-solid-microorganism interactions, including the influence of microbial growth on UGF geological parameters
• Mechanism and modelling of microbial impact on hydrogen storage
UGF relevant for this Research Topic include porous media, salt caverns, deep aquifers, hard rock caverns and depleted oil/gas reservoirs.
KW - Biodeterioration and biodegradation
KW - Geology
KW - Anaerobic pathways
KW - Microbial simulation,
KW - Hydrogen storage
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-579042
DO - https://doi.org/10.3389/fenrg.2023.1242619
SN - 2296-598X
VL - 11
SP - 1
EP - 3
PB - Frontiers
CY - Frontiers in Energy Research
AN - OPUS4-57904
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Abel, Andreas
A1 - Rosalie, Julian M.
A1 - Reinsch, Stefan
A1 - Zapala, Pawel
A1 - Michels, Heiner
A1 - Skrotzki, Birgit
T1 - Influence of Mo and B additions in intermetallic near-Fe3Al alloys on microstructure and mechanical properties
N2 - Iron aluminides, already reported in the late 19th century, did not cease to attract the interest of scientists and engineers ever since. Besides good oxidation resistance, low density and resource availability, potentials for hightemperature strengths that compete with high-alloy steels were unlocked by low alloy contents. Still, research on alloy design continues, as alloying usually comes at the price of brittleness in low-temperature regimes. A potential candidate is the quinary Fe–Al–Mo–Ti–B system which is strengthened by solid solution and eutectic borides. It was shown to have good strength and outstanding creep resistance under compressive loading up to elevated temperatures. Although the individual effect of alloy additions is well understood in iron aluminides, little is known about the combined effects of alloying concentrations on microstructure, phase stability and mechanical properties. Therefore a systematic study of two Ti-doped near-Fe3Al alloys with varying contents of Mo (2–4 at.%) and B (0.5–1 at.%) was conducted. In total eight different alloys were fabricated by investment casting into ceramic shell molds. Alloys were characterized and compared by grain size, phase transitions, microstructure evolution as well as elemental compositions and volume fractions of phases. For mechanical characterization, macrohardness and microhardness tests as well as tensile tests at ambient and high tempera tures were conducted. Independent of alloy additions, alloys with 24–25 at.% Al exhibit superior proof strength due to a higher matrix hardness. Decreasing B content generally decreases strength by lower secondary phase fractions which contribute via particle hardening. Reducing Mo content decreases both the solute concentration in the matrix and secondary phase fractions. Surprisingly, strength is similar or even superior to alloys with higher Mo content. Strength relations are discussed with a focus on solid-solution hardening theory and other competing strengthening mechanisms.
KW - Materials Chemistry
KW - Metals and Alloys
KW - Mechanical Engineering
KW - Mechanics of Materials
KW - General Chemistry
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-585284
DO - https://doi.org/10.1016/j.intermet.2023.108074
VL - 163
SP - 1
EP - 11
PB - Elsevier Ltd.
AN - OPUS4-58528
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Jovičević-Klug, Matic
A1 - Souza Filho, Isnaldi R.
A1 - Springer, Hauke
A1 - Adam, Christian
A1 - Raabe, Dierk
T1 - Green steel from red mud through climate-neutral hydrogen plasma reduction
N2 - AbstractRed mud is the waste of bauxite refinement into alumina, the feedstock for aluminium production1. With about 180 million tonnes produced per year1, red mud has amassed to one of the largest environmentally hazardous waste products, with the staggering amount of 4 billion tonnes accumulated on a global scale1. Here we present how this red mud can be turned into valuable and sustainable feedstock for ironmaking using fossil-free hydrogen-plasma-based reduction, thus mitigating a part of the steel-related carbon dioxide emissions by making it available for the production of several hundred million tonnes of green steel. The process proceeds through rapid liquid-state reduction, chemical partitioning, as well as density-driven and viscosity-driven separation between metal and oxides. We show the underlying chemical reactions, pH-neutralization processes and phase transformations during this surprisingly simple and fast reduction method. The approach establishes a sustainable toxic-waste treatment from aluminium production through using red mud as feedstock to mitigate greenhouse gas emissions from steelmaking.
KW - Multidisciplinary
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-594424
DO - https://doi.org/10.1038/s41586-023-06901-z
SN - 0028-0836
VL - 625
IS - 7996
SP - 703
EP - 709
PB - Springer Science and Business Media LLC
AN - OPUS4-59442
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Machado Ferreira de Araujo, F.
A1 - Duarte-Ruiz, D.
A1 - Saßnick, H.-D.
A1 - Gentzmann, Marie C.
A1 - Huthwelker, T.
A1 - Cocchi, C.
T1 - Electronic Structure and Core Spectroscopy of Scandium Fluoride Polymorphs
N2 - Microscopic knowledge of the structural, energetic, and electronic properties of scandium fluoride is still incomplete despite the relevance of this material as an intermediate for the manufacturing of Al−Sc alloys. In a work based on first-principles calculations and X-ray spectroscopy, we assess the stability and electronic structure of six computationally predicted ScF3 polymorphs, two of which correspond to experimentally resolved single-crystal phases. In the theoretical analysis based on density functional theory (DFT), we identify similarities among the polymorphs based on their formation energies, chargedensity distribution, and electronic properties (band gaps and density of states). We find striking analogies between the results obtained for the ow- and high-temperature phases of the material, indirectly confirming that the transition occurring between them mainly consists of a rigid rotation of the lattice. With this knowledge, we examine the X-ray absorption spectra from the Sc and F K-edge contrasting firstprinciples results obtained from the solution of the Bethe−Salpeter equation on top of all-electron DFT with high-energy-resolution fluorescence detection measurements. Analysis of the computational results sheds light on the electronic origin of the absorption maxima and provides information on the prominent excitonic effects that characterize all spectra. A comparison with measurements confirms that the sample is mainly composed of the high- and low-temperature polymorphs of ScF3. However, some fine details in the experimental results suggest that the probed powder sample may contain defects and/or residual traces of metastable polymorphs.
KW - Scandium
KW - X-ray spectroscopy
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-570727
DO - https://doi.org/10.1021/acs.inorgchem.2c04357
SN - 0020-1669
VL - 62
IS - 10
SP - 4238
EP - 4247
PB - ACS Publications
CY - Washington DC
AN - OPUS4-57072
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Held, Mathias
A1 - Bulling, Jannis
A1 - Lugovtsova, Yevgeniya
A1 - Prager, Jens
T1 - Determination of isotropic elastic constants from dispersion images based on ultrasonic guided waves by using neural networks
N2 - This article presents a method to use the dispersive behavior of ultrasonic guided waves and neural networks to determine the isotropic elastic constants of plate-like structures through dispersion images. Therefore, two different architectures are compared: one using convolutions and transfer learning based on the EfficientNetB7 and a Vision Transformer-like approach. To accomplish this, simulated and measured dispersion images are generated, where the first is applied to design, train, and validate and the second to test the neural networks. During the training of the neural networks, distinct data augmentation layers are employed to introduce artifacts appearing in measurement data into the simulated data. The neural networks can extrapolate from simulated to measured data using these layers. The trained neural networks are assessed using dispersion images from seven known material samples. Multiple variations of the measured dispersion images are tested to guarantee the prediction stability. The study demonstrates that neural networks can learn to predict the isotropic elastic constants from measured dispersion images using only simulated dispersion images for training and validation without needing an initial guess or manual feature extraction, independent of the measurement setup. Furthermore, the suitability of the different architectures for generating information from dispersion images in general is discussed.
KW - Ultrasonic guided waves
KW - Dispersion
KW - Elastic constants
KW - Neural networks
KW - Image processing
KW - Vision transformer
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-607090
DO - https://doi.org/10.1016/j.ultras.2024.107403
SN - 0041-624X
VL - 143
SP - 1
EP - 48
PB - Elsevier B.V.
AN - OPUS4-60709
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Dombinov, V.
A1 - Herzel, Hannes
A1 - Meiller, M.
A1 - Müller, F.
A1 - Willbold, S.
A1 - Zang, J. W.
A1 - da Fonseca-Zang, W. A.
A1 - Adam, Christian
A1 - Klose, H.
A1 - Poorter, H.
A1 - Jablonowski, N. D.
A1 - Schrey, S. D.
T1 - Sugarcane bagasse ash as fertilizer for soybeans: Effects of added residues on ash composition, mineralogy, phosphorus extractability and plant availability
N2 - Sugarcane bagasse is commonly combusted to generate energy. Unfortunately, recycling strategies rarely consider the resulting ash as a potential fertilizer. To evaluate this recycling strategy for a sustainable circular economy, we characterized bagasse ash as a fertilizer and measured the effects of co-gasification and co-combustion of bagasse with either chicken manure or sewage sludge: on the phosphorus (P) mass fraction, P-extractability, and mineral P phases. Furthermore, we investigated the ashes as fertilizer for soybeans under greenhouse conditions. All methods in combination are reliable indicators helping to assess and predict P availability from ashes to soybeans. The fertilizer efficiency of pure bagasse ash increased with the ash amount supplied to the substrate. Nevertheless, it was not as effective as fertilization with triple-superphosphate and K2SO4, which we attributed to lower P availability. Co-gasification and co-combustion increased the P mass fraction in all bagasse-based ashes, but its extractability and availability to soybeans increased only when co-processed with chicken manure, because it enabled the formation of readily available Ca-alkali phosphates. Therefore, we recommend co-combusting biomass with alkali-rich residues to increase the availability of P from the ash to plants.
KW - Combustion and gasification
KW - Phosphate extractability and availability
KW - X-ray diffraction (XRD)
PY - 2022
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-567632
DO - https://doi.org/10.3389/fpls.2022.1041924
SN - 1664-462X
VL - 13
SP - 1
EP - 13
PB - Frontiers Media
CY - Lausanne
AN - OPUS4-56763
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Erdmann, Eileen A.
A1 - Brandhorst, Antonia K. M.
A1 - Gorbushina, Anna A.
A1 - Schumacher, Julia
T1 - The Tet‑on system for controllable gene expression in the rock‑inhabiting black fungus Knufia petricola
N2 - Knufia petricola is a black fungus that colonizes sun-exposed surfaces as extreme and oligotrophic environments. As ecologically important heterotrophs and biofilm-formers on human-made surfaces, black fungi form one of the most resistant groups of biodeteriorating organisms. Due to its moderate growth rate in axenic culture and available protocols for its transformation and CRISPR/Cas9-mediated genome editing, K. petricola is used for studying the morpho-physiological adaptations shared by extremophilic and extremotolerant black fungi. In this study, the bacteria-derived tetracycline (TET)-dependent promoter (Tet-on) system was implemented to enable controllable gene expression in K. petricola. The functionality i.e., the dose-dependent inducibility of TET-regulated constructs was investigated by using GFP fluorescence, pigment synthesis(melanin and carotenoids) and restored uracil prototrophy as reporters. The newly generated cloning vectors containing the Tet-on construct, and the validated sites in the K. petricola genome for color-selectable or neutral insertion of expression constructs complete the reverse genetics toolbox. One or multiple genes can be expressed on demand from different genomic loci or from a single construct by using 2A self-cleaving peptides, e.g., for localizing proteins and protein complexes in the K. petricola cell or for using K. petricola as host for the expression of heterologous genes.
KW - Microcolonial fungi
KW - Inducible promoter
KW - Bimolecular fluorescence complementation
KW - 2A peptide
KW - CRISPR/ Cas9-mediated genome editing
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-607672
DO - https://doi.org/10.1007/s00792-024-01354-2
VL - 28
IS - 38
SP - 1
EP - 13
PB - Springer Nature
AN - OPUS4-60767
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Hülagü, Deniz
A1 - Tobias, Charlie
A1 - Dao, Radek
A1 - Komarov, Pavel
A1 - Rurack, Knut
A1 - Hodoroaba, Vasile-Dan
T1 - Towards 3D determination of the surface roughness of core–shell microparticles as a routine quality control procedure by scanning electron microscopy
N2 - AbstractRecently, we have developed an algorithm to quantitatively evaluate the roughness of spherical microparticles using scanning electron microscopy (SEM) images. The algorithm calculates the root-mean-squared profile roughness (RMS-RQ) of a single particle by analyzing the particle’s boundary. The information extracted from a single SEM image yields however only two-dimensional (2D) profile roughness data from the horizontal plane of a particle. The present study offers a practical procedure and the necessary software tools to gain quasi three-dimensional (3D) information from 2D particle contours recorded at different particle inclinations by tilting the sample (stage). This new approach was tested on a set of polystyrene core-iron oxide shell-silica shell particles as few micrometer-sized beads with different (tailored) surface roughness, providing the proof of principle that validates the applicability of the proposed method. SEM images of these particles were analyzed by the latest version of the developed algorithm, which allows to determine the analysis of particles in terms of roughness both within a batch and across the batches as a routine quality control procedure. A separate set of particles has been analyzed by atomic force microscopy (AFM) as a powerful complementary surface analysis technique integrated into SEM, and the roughness results have been compared.
KW - Core–shell particles
KW - Image analysis
KW - Roughness
KW - Scanning electron microscopy
KW - Atomic force microscopy
KW - Tilting
KW - Batch analysis
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-607590
DO - https://doi.org/10.1038/s41598-024-68797-7
SN - 2045-2322
VL - 14
IS - 1
SP - 1
EP - 13
PB - Springer Science and Business Media LLC
AN - OPUS4-60759
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Kosár, László
A1 - Szabová, Zuzana
A1 - Kuracina, Richard
A1 - Spitzer, Stefan H.
A1 - Mynarz, Miroslav
A1 - Filipi, Bohdan
T1 - Study of the Safety Characteristics of Different Types of Pepper Powder (Capsicum L.)
N2 - This research was aimed at comparing the fire characteristics of different types of pepper in the context of explosion prevention. The following characteristics were studied: explosion pressure Pmax and Kst at selected concentrations, ignition temperature of the deposited dust layer from the hot surface, and minimum ignition energy. The comparison of the chemical properties of the used types of pepper was performed using TG/DSC. The results of the measurements suggest that different types of peppers exhibit different explosion characteristics. Each sample reached the maximum value of the explosion pressure and rate of pressure rise at different concentrations. The volume of the explosion chamber used also influenced the explosion characteristics. It is a consequence of the fact that the explosion characteristics strongly depend on the mechanism of action of a particular igniter. The minimum effect on the safety characteristics was observed when measuring the minimum ignition energy and the minimum ignition temperature of the dust layer from the hot surface. The results of the measurements suggest that different types of peppers exhibit different explosion characteristics. This information should then be considered in explosion prevention.
KW - Dust explosions
KW - Pepper samples
KW - Explosion characteristics
KW - Explosion protection
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-605965
DO - https://doi.org/10.3390/fire7070229
VL - 7
IS - 7
SP - 1
EP - 14
PB - MDPI AG
AN - OPUS4-60596
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Omar, Hassan
A1 - Ahamadi, Shayan
A1 - Hülagü, Deniz
A1 - Hidde, Gundula
A1 - Hertwig, Andreas
A1 - Szymoniak, Paulina
A1 - Schönhals, Andreas
T1 - Investigations of the adsorbed layer of polysulfone: Influence of the thickness of the adsorbed layer on the glass transition of thin films
N2 - This work studies the influence of the adsorbed layer on the glass transition of thin films of polysulfone. Therefore, the growth kinetics of the irreversibly adsorbed layer of polysulfone on silicon substrates was first investigated using the solvent leaching approach, and the thickness of the remaining layer was measured with atomic force microscopy. Annealing conditions before leaching were varied in temperature and time (0–336 h). The growth kinetics showed three distinct regions: a pre-growth step where it was assumed that phenyl rings align parallel to the substrate at the shortest annealing times, a linear growth region, and a crossover from linear to logarithmic growth observed at higher temperatures for the longest annealing times. No signs of desorption were observed, pointing to the formation of a strongly adsorbed layer.
Second, the glass transition of thin polysulfone films was studied in dependence on the film thickness using spectroscopic ellipsometry. Three annealing conditions were compared: two with only a tightly bound layer formed in the linear growth regime and one with both tightly bound and loosely adsorbed layers formed in the logarithmic growth regime. The onset thickness and increase in the glass transition temperature increases with annealing time and temperature. These differences were attributed to the distinct conformations of the formed adsorbed layers.
KW - Glass transition
KW - Adsorbed Layer
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-607701
DO - https://doi.org/10.1063/5.0223415
VL - 161
IS - 5
SP - 1
EP - 12
PB - AIP Publishing
AN - OPUS4-60770
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Winkler, Nicolas P.
A1 - Kotlyar, O.
A1 - Schaffernicht, E.
A1 - Matsukura, H.
A1 - Ishida, H.
A1 - Neumann, Patrick P.
A1 - Lilienthal, A. J.
T1 - Super-resolution for Gas Distribution Mapping
N2 - Gas Distribution Mapping (GDM) is a valuable tool for monitoring the distribution of gases in a wide range of applications, including environmental monitoring, emergency response, and industrial safety. While GDM is actively researched in the scope of gas-sensitive mobile robots (Mobile Robot Olfaction), there is a potential for broader applications utilizing sensor networks. This study aims to address the lack of deep learning approaches in GDM and explore their potential for improved mapping of gas distributions. In this paper, we introduce Gas Distribution Decoder (GDD), a learning-based GDM method. GDD is a deep neural network for spatial interpolation between sparsely distributed sensor measurements that was trained on an extensive data set of realistic-shaped synthetic gas plumes based on actual airflow measurements. As access to ground truth representations of gas distributions remains a challenge in GDM research, we make our data sets, along with our models, publicly available. We test and compare GDD with state-of-the-art models on synthetic and real-world data. Our findings demonstrate that GDD significantly outperforms existing models, demonstrating a 35% improvement in accuracy on synthetic data when measured using the Root Mean Squared Error over the entire distribution map. Notably, GDD appears to have superior capabilities in reconstructing the edges and characteristic shapes of gas plumes compared to traditional models. These potentials offer new possibilities for more accurate and efficient environmental monitoring, and we hope to inspire other researchers to explore learning-based GDM.
KW - Gas distribution mapping
KW - Spatial interpolation
KW - Sensor networks
KW - Deep learning
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-607786
DO - https://doi.org/10.1016/j.snb.2024.136267
SN - 0925-4005
VL - 419
SP - 1
EP - 12
PB - Elsevier B.V.
AN - OPUS4-60778
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -