TY - JOUR
A1 - Villajos Collado, José Antonio
A1 - Balderas‐Xicohténcatl, Rafael
A1 - Al Shakhs, Ali N.
A1 - Berenguer‐Murcia, Ángel
A1 - Buckley, Craig E.
A1 - Cazorla‐Amorós, Diego
A1 - Charalambopoulou, Georgia
A1 - Couturas, Fabrice
A1 - Cuevas, Fermin
A1 - Fairen‐Jimenez, David
A1 - Heinselman, Karen N.
A1 - Humphries, Terry D.
A1 - Kaskel, Stefan
A1 - Kim, Hyunlim
A1 - Marco‐Lozar, Juan P.
A1 - Oh, Hyunchul
A1 - Parilla, Philip A.
A1 - Paskevicius, Mark
A1 - Senkovska, Irena
A1 - Shulda, Sarah
A1 - Silvestre‐Albero, Joaquin
A1 - Steriotis, Theodore
A1 - Tampaxis, Christos
A1 - Hirscher, Michael
A1 - Maiwald, Michael
T1 - Establishing ZIF‐8 as a reference material for hydrogen cryoadsorption: An interlaboratory study
N2 - AbstractHydrogen storage by cryoadsorption on porous materials has the advantages of low material cost, safety, fast kinetics, and high cyclic stability. The further development of this technology requires reliable data on the H2 uptake of the adsorbents, however, even for activated carbons the values between different laboratories show sometimes large discrepancies. So far no reference material for hydrogen cryoadsorption is available. The metal‐organic framework ZIF‐8 is an ideal material possessing high thermal, chemical, and mechanical stability that reduces degradation during handling and activation. Here, we distributed ZIF‐8 pellets synthesized by extrusion to 9 laboratories equipped with 15 different experimental setups including gravimetric and volumetric analyzers. The gravimetric H2 uptake of the pellets was measured at 77 K and up to 100 bar showing a high reproducibility between the different laboratories, with a small relative standard deviation of 3–4 % between pressures of 10–100 bar. The effect of operating variables like the amount of sample or analysis temperature was evaluated, remarking the calibration of devices and other correction procedures as the most significant deviation sources. Overall, the reproducible hydrogen cryoadsorption measurements indicate the robustness of the ZIF‐8 pellets, which we want to propose as a reference material.
KW - Physical and theoretical chemistry
KW - Atomic and molecular physics, and optics
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-594788
DO - https://doi.org/10.1002/cphc.202300794
SN - 1439-7641
SP - 1
EP - 7
PB - Wiley
CY - Weinheim
AN - OPUS4-59478
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Zaytsev, D.
A1 - Funk, Alexander
T1 - On the crack evolutional in human dentin under uniaxial compression imaged by high resolution tomography
N2 - An observation of the fracture process in front of the crack tip inside a dentin sample by means of ex-situ X-ray computed tomography after uniaxial compression at different deformation values was carried out in this work. This ex-situ approach allowed the microstructure and fracturing process of human dentin to be observed during loading. No cracks are observed up to the middle part of the irreversible deformation in the samples at least visible at 0.4μm resolution. First cracks appeared before the mechanical stress reached the compression strength. The growth of the cracks is realized by connecting the main cracks with satellite cracks that lie ahead of the main crack tip and parallel its trajectory. When under the stress load the deformation in the sample exceeds the deformation at the compression strength of dentin, an appearance of micro-cracks in front of the main cracks is observed. The micro-cracks are inclined (~60°) to the trajectory of the main cracks. The further growth of the main cracks is not realized due to the junction with the micro-cracks; we assume that the micro-cracks dissipate the energy of the main crack and suppressed its growth. These micro-cracks serve as additional stress accommodations, therefore the samples do not break apart after the compression test, as it is usually observed under bending and tension tests.
KW - Dentin
KW - Crack evolution
KW - Compression strength
KW - Mechanical properties
KW - Microstructure
KW - Ex-situ X-ray computed tomography
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-594810
DO - https://doi.org/10.18149/MPM.5152023_5
SN - 1605-8119
VL - 51
IS - 5
SP - 38
EP - 51
PB - Advanced Study Center
CY - St. Petersburg
AN - OPUS4-59481
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Prabitz, Konstantin Manuel
A1 - Antretter, Thomas
A1 - Rethmeier, Michael
A1 - El-Sari, Bassel
A1 - Schubert, Holger
A1 - Hilpert, Benjamin
A1 - Gruber, Martin
A1 - Sierlinger, Robert
A1 - Ecker, Werner
T1 - Numerical and experimental assessment of liquid metal embrittlement in externally loaded spot welds
N2 - Zinc-based surface coatings are widely applied with high-strength steels in automotive industry. Some of these base materials show an increased brittle cracking risk during loading. It is necessary to examine electrogalvanized and uncoated samples of a high strength steel susceptible to liquid metal embrittlement during spot welding with applied external load. Therefore, a newly developed tensile test method with a simultaneously applied spot weld is conducted. A fully coupled 3D electrical, thermal, metallurgical and mechanical finite element model depicting the resistant spot welding process combined with the tensile test conducted is mandatory to correct geometric influences of the sample geometry and provides insights into the sample’s time dependent local loading. With increasing external loads, the morphology of the brittle cracks formed is affected more than the crack depth. The validated finite element model applies newly developed damage indicators to predict and explain the liquid metal embrittlement cracking onset and development as well as even ductile failure.
KW - Resistance spot welding
KW - Finite element simulation
KW - Advanced high-strength steel
KW - Liquid metal embrittlement
KW - Damage prediction
KW - Tensile resistance spot welding experiment
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-594848
DO - https://doi.org/10.1007/s40194-024-01696-7
SN - 0043-2288
SP - 1
EP - 10
PB - Springer Science and Business Media LLC
AN - OPUS4-59484
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Asna Ashari, Parsa
A1 - Blind, Knut
T1 - The effects of hydrogen research and innovation on international hydrogen trade
N2 - Climate change and the pressure to decarbonize, as well as energy security concerns, have drawn the attention of policymakers and the industry to hydrogen energy. To ad-vance the hydrogen economy at a global scale, research and innovation progress is of significant importance, among others. However, previous studies have provided only lim-ited quantitative evidence of the effects of research and innovation on the formation of a global hydrogen market. Instead, they postulate rather than empirically support this rela-tionship. Therefore, this study analyzes the effects of research and innovation measured by scientific publications, patents, and standards on bilateral hydrogen trade flows for 32 countries between 1995 and 2019 in a gravity model of trade, using regression analyses and Poisson Pseudo Maximum Likelihood (PPML) estimation. The main results of the PPML estimation show that research and innovation progress is indeed associated with increased trade, especially with patenting and (international) standardization enhancing hydrogen export volumes. As policy implications, we derive that increased public R&D funding can help increase the competitiveness of hydrogen energy and boost market growth, along with infrastructure support and harmonized standards and regulations.
KW - Hydrogen supply
KW - Global hydrogen market
KW - Research and innovation
KW - Push and pull effects
KW - Hydrogen policies
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-594875
DO - https://doi.org/10.1016/j.enpol.2023.113974
SN - 0301-4215
VL - 186
SP - 1
EP - 15
PB - Elsevier B.V.
AN - OPUS4-59487
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Sordello, F.
A1 - Prozzi, M.
A1 - Hodoroaba, Vasile-Dan
A1 - Radnik, Jörg
A1 - Pellegrino, F.
T1 - Increasing the HER efficiency of photodeposited metal nanoparticles over TiO2 using controlled periodic illumination
N2 - Although the use of noble metal catalysts can increase the efficiency of hydrogen evolution reaction, the process is still limited by the characteristics of the metal-hydrogen (M−H) bond, which can be too strong or too weak, depending on the metal employed. Studies revealed that the hydrogen affinity for the metal surface (i.e. H absorption/desorption) is regulated also by the potential at the metal nanoparticles. Through controlled periodic illumination (CPI) of a series of metal/TiO2 suspensions, here we demonstrated that an increase of the HER efficiency is possible for those photodeposited metals which have a Tafel slope below 125 mV. Two possible explanations are here reported, in both of them the M−H interaction and the metal covering level play a prominent role, which also depend on the prevailing HER mechanism (Volmer-Heyrovsky or Volmer-Tafel).
KW - Controlled periodic illumination
KW - Hydrogen evolution reaction
KW - Titanium dioxide
KW - Photoreforming
KW - Volcano plot
KW - Sabatier
KW - Nanoparticles
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-589875
DO - https://doi.org/10.1016/j.jcat.2023.115215
VL - 429
SP - 1
EP - 7
PB - Elsevier B.V.
AN - OPUS4-58987
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Müller, Kai
A1 - Mirabella, Francesca
A1 - Knigge, Xenia
A1 - Mezera, Marek
A1 - Weise, Matthias
A1 - Sahre, Mario
A1 - Wasmuth, Karsten
A1 - Voss, Heike
A1 - Hertwig, Andreas
A1 - Krüger, Jörg
A1 - Radnik, Jörg
A1 - Hodoroaba, Vasile-Dan
A1 - Bonse, Jörn
T1 - Chemical and topographical changes upon sub-100-nm laser-induced periodic surface structure formation on titanium alloy: the influence of laser pulse repetition rate and number of over-scans
N2 - Titanium and its alloys are known to allow the straightforward laser-based manufacturing of ordered surface nanostructures, so-called high spatial frequency laser-induced periodic surface structures (HSFL). These structures exhibit sub-100 nm spatial periods – far below the optical diffraction limit. The resulting surface functionalities are usually enabled by both, topographic and chemical alterations of the nanostructured surfaces. For exploring these effects, multi-method characterizations were performed here for HSFL processed on Ti–6Al–4V alloy upon irradiation with near-infrared ps-laser pulses (1030 nm, ≈1 ps pulse duration, 1–400 kHz) under different laser scan processing conditions, i.e., by systematically varying the pulse repetition frequency and the number of laser irradiation passes. The sample characterization involved morphological and topographical investigations by scanning electron microscopy (SEM), atomic force microscopy (AFM), tactile stylus profilometry, as well as near-surface chemical analyses hard X-ray photoelectron spectroscopy (HAXPES) and depth-profiling time-of-flight secondary ion mass spectrometry (ToF-SIMS). This provides a quantification of the laser ablation depth, the geometrical HSFL characteristics and enables new insights into the depth extent and the nature of the non-ablative laser-induced near-surface oxidation accompanying these nanostructures. This allows to answer the questions how the processing of HSFL can be industrially scaled up, and whether the latter is limited by heat-accumulation effects.
T2 - 2023 E-MRS Spring Meeting, Symposium L "Making light matter: lasers in material sciences and photonics"
CY - Strasbourg, France
DA - 29.05.2023
KW - Laser-induced periodic surface structures (LIPSS)
KW - Ultrashort laser pulses
KW - Laser processing
KW - Hard X-ray photoelectron spectroscopy (HAXPES)
KW - Time-of-flight secondary ion mass spectrometry (ToF-SIMS)
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-589902
UR - https://onlinelibrary.wiley.com/doi/full/10.1002/pssa.202300719
DO - https://doi.org/10.1002/pssa.202300719
SN - 1862-6319
VL - 221
IS - 15
SP - 1
EP - 12
PB - Wiley-VCH GmbH
CY - Weinheim
AN - OPUS4-58990
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Jablonka, Kevin Maik
A1 - Ai, Qianxiang
A1 - Al-Feghali, Alexander
A1 - Badhwar, Shruti
A1 - Bocarsly, Joshua D.
A1 - Bran, Andres M.
A1 - Bringuier, Stefan
A1 - Brinson, L. Catherine
A1 - Choudhary, Kamal
A1 - Circi, Defne
A1 - Cox, Sam
A1 - de Jong, Wibe A.
A1 - Evans, Matthew L.
A1 - Gastellu, Nicolas
A1 - Genzling, Jerome
A1 - Gil, María Victoria
A1 - Gupta, Ankur K.
A1 - Hong, Zhi
A1 - Imran, Alishba
A1 - Kruschwitz, Sabine
A1 - Labarre, Anne
A1 - Lála, Jakub
A1 - Liu, Tao
A1 - Ma, Steven
A1 - Majumdar, Sauradeep
A1 - Merz, Garrett W.
A1 - Moitessier, Nicolas
A1 - Moubarak, Elias
A1 - Mouriño, Beatriz
A1 - Pelkie, Brenden
A1 - Pieler, Michael
A1 - Ramos, Mayk Caldas
A1 - Ranković, Bojana
A1 - Rodriques, Samuel G.
A1 - Sanders, Jacob N.
A1 - Schwaller, Philippe
A1 - Schwarting, Marcus
A1 - Shi, Jiale
A1 - Smit, Berend
A1 - Smith, Ben E.
A1 - Van Herck, Joren
A1 - Völker, Christoph
A1 - Ward, Logan
A1 - Warren, Sean
A1 - Weiser, Benjamin
A1 - Zhang, Sylvester
A1 - Zhang, Xiaoqi
A1 - Zia, Ghezal Ahmad
A1 - Scourtas, Aristana
A1 - Schmidt, K. J.
A1 - Foster, Ian
A1 - White, Andrew D.
A1 - Blaiszik, Ben
T1 - 14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon
N2 - Large-language models (LLMs) such as GPT-4 caught the interest of many scientists. Recent studies suggested that these models could be useful in chemistry and materials science. To explore these possibilities, we organized a hackathon. This article chronicles the projects built as part of this hackathon. Participants employed LLMs for various applications, including predicting properties of molecules and materials, designing novel interfaces for tools, extracting knowledge from unstructured data, and developing new educational applications. The diverse topics and the fact that working prototypes could be generated in less than two days highlight that LLMs will profoundly impact the future of our fields. The rich collection of ideas and projects also indicates that the applications of LLMs are not limited to materials science and chemistry but offer potential benefits to a wide range of scientific disciplines.
KW - Large Language model
KW - Hackathon
KW - Concrete
KW - Prediction
KW - Inverse Design
KW - Orchestration
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-589961
DO - https://doi.org/10.1039/d3dd00113j
VL - 2
IS - 5
SP - 1233
EP - 1250
PB - Royal Society of Chemistry (RSC)
AN - OPUS4-58996
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Torres, Benjamin Moreno
A1 - Völker, Christoph
A1 - Firdous, Rafia
T1 - Concreting a sustainable future: A dataset of alkali-activated concrete and its properties
N2 - This data article introduces a dataset comprising 1630 alkali-activated concrete (AAC) mixes, compiled from 106 literature sources. The dataset underwent extensive curation to address feature redundancy, transcription errors, and duplicate data, yielding refined data ready for further data-driven science in the field of AAC, where this effort constitutes a novelty. The carbon footprint associated with each material used in the AAC mixes, as well as the corresponding CO2 footprint of every mix, were approximated using two published articles. Serving as a foundation for future expansions and rigorous data applications, this dataset enables the characterization of AAC properties through machine learning algorithms or as a benchmark for performance comparison among different formulations. In summary, the dataset provides a resource for researchers focusing on AAC and related materials and offers insights into the environmental benefits of substituting traditional Portland concrete with AAC.
KW - Multidisciplinary
KW - Data Set
KW - Alkali Activated Concrete
KW - Data driven design
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-589974
DO - https://doi.org/10.1016/j.dib.2023.109525
SN - 2352-3409
VL - 50
SP - 1
EP - 9
PB - Elsevier B.V.
AN - OPUS4-58997
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Völker, Christoph
A1 - Moreno Torres, Benjami
A1 - Zia, Ghezal Ahmad
A1 - Rug, Tehseen
A1 - Firdous, Rafia
A1 - Böhmer, Felix
A1 - Stephan, Dietmar
A1 - Kruschwitz, Sabine
T1 - Presenting SLAMD – A Sequential Learning Based Software for the Inverse Design of Sustainable Cementitious Materials
N2 - In recent decades, the number of components in concrete has grown, particularly in formulations aimed at reducing carbon footprints. Innovations include diverse binders, supplementary cementitious materials, activators, concrete admixtures, and recycled aggregates. These developments target not only the enhancement of material properties but also the mitigation of the ecological and economic impacts of concrete — the most extensively used material by humankind. However, these advancements also introduce a greater variability in the composition of raw materials. The material’s behavior is significantly influenced by its nanoscale properties, which can pose challenges in accurate characterization. Consequently, there’s an increasing need for experimental tuning of formulations. This is accompanied by a more inconsistent composition of raw materials, which makes an experimental tuning of formulations more and more necessary. However, the increased complexity in composition presents a challenge in finding the ideal formulation through trial and error. Inverse design (ID) techniques offer a solution to this challenge by allowing for a comprehensive search of the entire design space to create new and improved concrete formulations. In this publication, we introduce the concept of ID and demonstrate how our open-source app “SLAMD” provides all necessary steps of the workflow to adapt it in the laboratory, lowering the application barriers. The intelligent screening process, guided by a predictive model, leads to a more efficient and effective data-driven material design process resulting in reduced carbon footprint and improved material quality while considering socio-economic factors in the materials design.
KW - Sustainable concrete
KW - Machine learning optimization
KW - Inverse design techniques
KW - Scientific software
KW - Data-driven material design
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-589993
DO - https://doi.org/10.17756/nwj.2023-s2-032
VL - 9
SP - 180
EP - 187
AN - OPUS4-58999
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Cabo Rios, Alberto
A1 - Mishurova, Tatiana
A1 - Cordova, Laura
A1 - Persson, Mats
A1 - Bruno, Giovanni
A1 - Olevsky, Eugene
A1 - Hryha, Eduard
T1 - Ex-situ characterization and simulation of density fluctuations evolution during sintering of binder jetted 316L
N2 - Efficient density evolution during sintering of the as-printed component is vital to reach full densification and required properties of binder jet (BJT) components. However, due to the high porosity and brittle nature of the green compact, analysis of the microstructure development during sintering is very difficult, resulting in lack of understanding of the densification process. Density development from green state (57 ± 1.6 %) up to full density (99 ± 0.3 %) was characterized by high-resolution synchrotron X-Ray computed tomography (SXCT) on BJT 316L samples from ex-situ interrupted sintering tests. Periodicity of density fluctuations along the building direction was revealed for the first time and was related to the layer thickness of ~ 42 μm during printing that decreased down to ~ 33 μm during sintering. Sintering simulations, utilizing a continuum sintering model developed for BJT, allowed to replicate the density evolution during sintering with a mean error of 2 % and its fluctuation evolution from green (1.66 %) to sintered (0.56 %) state. Additionally, simulation of extreme particle size segregation (1 μm to 130 μm) suggested that non-optimized printing could lead to undesirable density fluctuation amplitude rapid increase (~10 %) during sintering. This might trigger the nucleation of defects (e.g., layer delamination, cracking, or excessive residual porosity) during the sintering process.
KW - Additive manufacturing
KW - Synchrotron X-ray CT
KW - Binder Jetting
KW - Sintering
KW - FEM Simulation
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-594389
DO - https://doi.org/10.1016/j.matdes.2024.112690
SN - 0264-1275
VL - 238
SP - 1
EP - 18
PB - Elsevier
AN - OPUS4-59438
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 - Müller, Vinzenz
A1 - Fasselt, Janek Maria
A1 - Kruse, Tobias
A1 - Klötzer, Christian
A1 - Kleba-Ehrhardt, Rafael
A1 - Choma, Tomasz
A1 - Biegler, Max
A1 - Rethmeier, Michael
T1 - Using ultrasonic atomization to recycle aluminium bronze chips for additive laser directed energy deposition
N2 - Abstract
In the post-processing of large maritime components, a considerable amount of waste in the form of milling and grinding chips is produced. At the same time, additive manufacturing technologies have shown great potential in producing high-volume parts for maritime applications, allowing novel design approaches and short lead times. In this context, this study presents a sustainable approach to recycle and use aluminium bronze waste material, generated during post-processing of large cast ship propellers, as feedstock for laser-powder directed energy deposition. The recycling technology used to produce powder batches is inductive re-melting in combination with ultrasonic atomization. The derived metal powders are characterized using digital image analysis, powder flowability tests, scanning electron microscopy as well as energy dispersive X-ray spectroscopy. Compared to conventional metal powders produced by gas atomization, the recycled material shows excellent sphericity and a powder size distribution with a higher content of finer and coarser particles. Metallographic sections of deposited additively produced specimens show an increased hardness and reduced ductility, but also competitive densities and higher yield and ultimate tensile strength compared to cast material. The process chain shows high potential for the maritime sector to enable circular and sustainable manufacturing.
KW - Industrial and Manufacturing Engineering
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-594444
DO - https://doi.org/10.1088/1757-899X/1296/1/012036
VL - 1296
IS - 1
SP - 1
EP - 11
PB - IOP Publishing
AN - OPUS4-59444
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Kornev, Roman
A1 - Gornushkin, Igor B.
A1 - Shabarova, Lubov
A1 - Kadomtseva, Alena
A1 - Mochalov, Georgy
A1 - Rekunov, Nikita
A1 - Romanov, Sergey
A1 - Medov, Vitaly
A1 - Belousova, Darya
A1 - Maleev, Nikita
T1 - Plasma-Chemical Disposal of Silicon and Germanium Tetrachlorides Waste by Hydrogen Reduction
N2 - The processes of hydrogen reduction of silicon and germanium chlorides under the conditions of high-frequency (40.68 MHz) counteracted arc discharge stabilized between two rod electrodes are investigated. The main gas-phase and solid products of plasma-chemical transformations are determined. Thermodynamic analysis of SiCl4 + H2 and GeCl4 + H2 systems for optimal process parameters was carried out. Using the example of hydrogen reduction of SiCl4 by the method of numerical modeling, gas-dynamic and thermal processes for this type of discharge are investigated. The impurity composition of gas-phase and solid reaction products is investigated. The possibility of single-stage production of high-purity Si and Ge mainly in the form of compact ingots, as well as high-purity chlorosilanes and trichlorogermane, is shown.
KW - High-frequency arc discharge
KW - Hydrogen reduction
KW - Silicon chlorides
KW - Germanium chlorides
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-594454
DO - https://doi.org/10.3390/sci6010001
VL - 6
IS - 1
SP - 1
EP - 12
PB - MDPI AG
AN - OPUS4-59445
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Esparza-Mora, M. Alejandra
A1 - Mazumdar, Tilottama
A1 - Jiang, Shixiong
A1 - Radek, Renate
A1 - Thiem, Julian N.
A1 - Feng, Linshan
A1 - Petrašiūnaitė, Vesta
A1 - Banasiak, Ronald
A1 - Golian, Marek
A1 - Gleske, Melanie
A1 - Christophe, Lucas
A1 - Springer, Andreas
A1 - Buellesbach, Jan
A1 - McMahon, Dino
T1 - Defensive behavior is linked to altered surface chemistry following infection in a termite society
N2 - The care-kill response determines whether a sick individual will be treated or eliminated from an insect society, but little is known about the physiological underpinnings of this process. We exploited the stepwise infection dynamics of an entomopathogenic fungus in a termite to explore how care-kill transitions occur, and identify the chemical cues behind these shifts. We found collective responses towards pathogen-injected individuals to vary according to severity and timing of pathogen challenge, with elimination, via cannibalism, occurring sooner in response to a severe active infection. However, injection with inactivated fungal blastospores also resulted in increased albeit delayed cannibalism, even though it did not universally cause host death. This indicates that the decision to eliminate an individual is triggered before pathogen viability or terminal disease status has been established. We then compared the surface chemistry of differently challenged individuals, finding increased amounts of long-chained methyl-branched alkanes with similar branching patterns in individuals injected with both dead and viable fungal blastospores, with the latter showing the largest increase. This coincided with the highest amounts of observed cannibalism as well as signs of severe moribundity. Our study provides new mechanistic insight into the emergent collective behaviors involved in the disease defense of a termite society.
KW - Termite
KW - Social Immunity
KW - CHC
KW - Pathogen
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-594468
DO - https://doi.org/10.1038/s41598-023-42947-9
SN - 2045-2322
VL - 13
IS - 1
SP - 1
EP - 16
PB - Macmillan Publishers Limited, part of Springer Nature
CY - London
AN - OPUS4-59446
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Böllinghaus, Thomas
A1 - Cross, Carl
T1 - Obituary: Prof. Dr.-Ing. Hans Hoffmeister
N2 - On November 3, 2023, our dear colleague, Prof. Dr.-Ing. Hans Hoffmeister, born in 1932 in Kassel, Germany, passed away in Ahrensburg, near Hamburg, Germany.
KW - Metals and Alloys
KW - Mechanical Engineering
KW - Mechanics of Materials
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-594160
DO - https://doi.org/10.1007/s40194-023-01675-4
SP - 1
EP - 2
PB - Springer Science and Business Media LLC
AN - OPUS4-59416
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Mohring, W.
A1 - Karafiludis, Stephanos
A1 - Manzoni, Anna M.
A1 - Laplanche, G.
A1 - Schneider, M.
A1 - Stephan-Scherb, C.
T1 - High-Temperature Corrosion of High- and Medium-Entropy Alloys CrMnFeCoNi and CrCoNi Exposed to a Multi-Oxidant Atmosphere H2O–O2–SO2
N2 - AbstractThe high-temperature corrosion behaviors of the equimolar CrCoNi medium-entropy alloy and CrMnFeCoNi high-entropy alloy were studied in a gas atmosphere consisting of a volumetric mixture of 10% H2O, 2% O2, 0.5% SO2, and 87.5% Ar at 800 °C for up to 96 h. Both alloys were initially single-phase fcc with a mean grain size of ~ 50 μm and a homogeneous chemical composition. The oxide layer thickness of CrMnFeCoNi increased linearly with exposure time while it remained constant at ~ 1 μm for CrCoNi. A Cr2O3 layer and minor amounts of (Co,Ni)Cr2O4 developed on the latter while three oxide layers were detected on the former, i.e., a thin and continuous chromium rich oxide layer at the oxide/alloy interface, a dense (Mn,Cr)3O4 layer in the center and a thick and porous layer of Mn3O4 and MnSO4 at the gas/oxide interface. Additionally, a few metal sulfides were observed in the CrMnFeCoNi matrix. These results were found to be in reasonable agreement with thermodynamic calculations.
KW - high entropy alloys
KW - corrosion
KW - oxidation
KW - scanning electron microscopy
KW - sulfidation
KW - CrMnFeCoNi
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-594189
DO - https://doi.org/10.1007/s44210-023-00026-8
SP - 1
EP - 17
PB - Springer Science and Business Media LLC
AN - OPUS4-59418
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Emamverdi, Farnaz
A1 - Huang, J.
A1 - Mosane Razavi, Negar
A1 - Bojdys, M. J.
A1 - Forster, A. B.
A1 - Budd, P. M.
A1 - Böhning, Martin
A1 - Schönhals, Andreas
T1 - Molecular Mobility and Gas Transport Properties of Mixed Matrix Membranes Based on PIM‑1 and a Phosphinine Containing Covalent Organic Framework
N2 - Polymers with intrinsic microporosity (PIMs) are gaining attention as gas separation membranes. Nevertheless, they face limitations due to pronounced physical aging. In this study a covalent organic framework containing λ5-phosphinine moieties, CPSF-EtO were incorporated as a nanofiller (concentration range 0-10 wt%) into a PIM-1 matrix forming dense films with a thickness of ca. 100 μm. The aim of the investigation was to investigate possible enhancements of gas transport properties and mitigating effects on physical aging. The incorporation of the nanofiller occurred on aggregate level with domains up to 100 nm as observed by T-SEM and confirmed by X-ray scattering. Moreover, the X-ray data show that the structure of the microporous network of the PIM-1 matrix is changed by the nanofiller.
As the molecular mobility is fundamental for gas transport as well as for physical aging, the study includes dielectric investigations of pure PIM-1 and PIM-1/CPSF-EtO mixed matrix membranes to establish a correlation between the molecular mobility and the gas transport properties. Using the time-lag method the gas permeability and the permselectivity were determined for N2, O2, CH4 and CO2 for samples with variation in filler content. A significant increase in the permeability of CH4 and CO2 (50 % increase compared to pure PIM-1) was observed for a concentration of 5 wt% of the nanofiller. Furthermore, the most pronounced change in the permselectivity was found for the gas pair CO2/N2 at a filler concentration of 7 wt%.
KW - Polymers of Intrinsic Microporosity
KW - Nanocomposites
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-595031
DO - https://doi.org/10.1021/acs.macromol.3c02419
SN - 0024-9297
VL - 57
IS - 4
SP - 1829
EP - 1845
PB - ACS Publications
AN - OPUS4-59503
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Pérez Blanes, H.
A1 - Ghiasi, P.
A1 - Sandkühler, J.
A1 - Yesilcicek, Yasemin
A1 - Pentzien, Simone
A1 - Conradi, Andrea
A1 - Prinz, Carsten
A1 - Al-Sabbagh, Dominik
A1 - Thünemann, Andreas
A1 - Ozcan, Ozlem
A1 - Witt, Julia
T1 - High CO2 reduction activity on AlCrCoCuFeNi multi-principal element alloy nanoparticle electrocatalysts prepared by means of pulsed laser ablation
N2 - Noble metal-free nanoparticles (NPs) based on multi-principal element alloys (MPEAs) were synthesized using a one-step pulsed laser ablation in liquids (PLALs) method for the electrochemical reduction of CO2. Laser ablation was performed in pure water or poly-(diallyldimethylammonium chloride) (PDADMAC)-containing an aqueous solution of Al8Cr17Co17Cu8Fe17Ni33 MPEA targets. Transmission electron microscopy (TEM) measurements combined with energy dispersive X-ray (EDX) mapping were used to characterize the structure and composition of the laser-generated MPEA nanoparticles (MPEA-NPs). These results confirmed the presence of a characteristic elemental distribution of a core-shell phase structure as the predominant NP species. The electrocatalytic performance of the laser-generated MPEA-NPs was characterized by linear sweep voltammetry (LSV) demonstrating an enhanced electrocatalytic CO2 activity for PDADMAC-stabilized NPs. The findings of these investigations indicate that MPEAs have great potential to replace conventional, expensive noble metal electrocatalysts.
KW - Multi-principal element alloys
KW - Chemically Complex Materials
KW - CCMat
KW - Electrocatalysis
KW - Carbon dioxide reduction
KW - Pulsed laser ablation
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-594018
DO - https://doi.org/10.1016/j.jmrt.2023.05.143
VL - 24
SP - 9434
EP - 9440
PB - Elsevier BV
AN - OPUS4-59401
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Bühling, Benjamin
A1 - Maack, Stefan
A1 - Strangfeld, Christoph
T1 - Fluidic Ultrasound Generation for Non‐Destructive Testing
N2 - AbstractAir‐coupled ultrasonic testing (ACU) is a pioneering technique in non‐destructive testing (NDT). While contact testing and fluid immersion testing are standard methods in many applications, the adoption of ACU is progressing slowly, especially in the low ultrasonic frequency range. A main reason for this development is the difficulty of generating high amplitude ultrasonic bursts with equipment that is robust enough to be applied outside a laboratory environment. This paper presents the fluidic ultrasonic transducer as a solution to this challenge. This novel aeroacoustic source uses the flow instability of a sonic jet in a bistable fluidic switch to generate ultrasonic bursts up to 60 kHz with a mean peak pressure of 320 Pa. The robust design allows operation in adverse environments, independent of the operating fluid. Non‐contact through‐transmission experiments are conducted on four materials and compared with the results of conventional transducers. For the first time, it is shown that the novel fluidic ultrasonic transducer provides a suitable acoustic signal for NDT tasks and has potential of furthering the implementation of ACU in industrial applications.This article is protected by copyright. All rights reserved
KW - Aeroacoustics
KW - Air-coupled ultrasound
KW - Fluidics
KW - Harsh environment
KW - Laser Doppler vibrometer
KW - Non-destructive testing
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-594273
DO - https://doi.org/10.1002/adma.202311724
SN - 0935-9648
SP - 1
EP - 14
PB - Wiley
AN - OPUS4-59427
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Bühling, Benjamin
A1 - Maack, Stefan
T1 - Improving onset picking in ultrasonic testing by using a spectral entropy criterion
N2 - In ultrasonic testing, material and structural properties of a specimen can be derived from the time-of-flight (ToF). Using signal features, such as the first peak or envelope maximum, to calculate the ToF is error-prone in multipath arrangements or dispersive and attenuating materials, which is not the case for the signal onset. Borrowing from seismology, researchers used the Akaike information criterion (AIC) picker to automatically determine onset times. The most commonly used formulation, Maeda's AIC picker, is reassessed and found to be based on inappropriate assumptions for signals often used in ultrasonic testing and dependent on arbitrary parameters. Consequently, an onset picker for ultrasonic through-transmission measurements is proposed, based on a spectral entropy criterion (SEC) to model the signal using the AIC framework. This SEC picker takes into account the spectral properties of the ultrasonic signal and is virtually free of arbitrary parameters. Synthetic and experimental data are used to compare the performance of SEC and AIC pickers. It is shown that the accuracy of onset picking is improved for densely sampled data.
KW - Akaike information criterion picker
KW - Nondestructive testing
KW - Ultrasound
KW - Time of flight
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-594284
UR - https://pubs.aip.org/asa/jasa/article/155/1/544/3061576/Improving-onset-picking-in-ultrasonic-testing-by
DO - https://doi.org/10.1121/10.0024337
SN - 0001-4966
VL - 155
IS - 1
SP - 544
EP - 554
PB - AIP Publishing
CY - Melville, NY, USA
AN - OPUS4-59428
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Li, Z.
A1 - Raab, A.
A1 - Kolmangadi, Mohamed Aejaz
A1 - Busch, M.
A1 - Grunwald, M.
A1 - Demel, F.
A1 - Bertram, F.
A1 - Kityk, A. V.
A1 - Schönhals, Andreas
A1 - Laschat, S.
A1 - Huber, P.
T1 - Self-Assembly of Ionic Superdiscs in Nanopores
N2 - Discotic ionic liquid crystals (DILCs) consist of self-assembled superdiscs of cations and anions that spontaneously stack in linear columns with high one-dimensional ionic and electronic charge mobility, making them prominent model systems for functional soft matter. Compared to classical nonionic discotic liquid crystals, many liquid crystalline structures with a combination of electronic and ionic conductivity have been reported, which are of interest for separation membranes, artificial ion/proton conducting membranes, and optoelectronics. Unfortunately, a homogeneous alignment of the DILCs on the macroscale is often not achievable, which significantly limits the applicability of DILCs. Infiltration into nanoporous solid scaffolds can, in principle, overcome this drawback. However, due to the experimental challenges to scrutinize liquid crystalline order in extreme spatial confinement, little is known about the structures of DILCs in nanopores. Here, we present temperaturedependent high-resolution optical birefringence measurement and 3D reciprocal space mapping based on synchrotron X-ray scattering to investigate the thermotropic phase behavior of dopamine-based ionic liquid crystals confined in cylindrical channels of 180 nm diameter in macroscopic anodic aluminum oxide membranes. As a function of the membranes’ hydrophilicity and thus the molecular anchoring to the pore walls (edge-on or face-on) and the variation of the hydrophilic−hydrophobic balance between the aromatic cores and the alkyl side chain motifs of the superdiscs by tailored chemical synthesis, we find a particularly rich phase behavior, which is not present in the bulk state. It is governed by a complex interplay of liquid crystalline elastic energies (bending and splay deformations), polar interactions, and pure geometric confinement and includes textural transitions between radial and axial alignment of the columns with respect to the long nanochannel axis. Furthermore, confinement-induced continuous order formation is observed in contrast to discontinuous first-order phase transitions, which can be quantitatively described by Landau-de Gennes free energy models for liquid crystalline order transitions in confinement. Our observations suggest that the infiltration of DILCs into nanoporous solids allows tailoring their nanoscale texture and ion channel formation and thus their electrical and optical functionalities over an even wider range than in the bulk state in a homogeneous manner on the centimeter scale as controlled by the monolithic nanoporous scaffolds.
KW - Ionic Liquid Crystals
KW - Nanopropous materials
KW - Landau de-Gennes analysis
KW - X-ray scattering
KW - Optical birefringence
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-600797
DO - https://doi.org/10.1021/acsnano.4c01062
SN - 1936-0851
VL - 18
IS - 22
SP - 14414
EP - 14426
PB - ACS
AN - OPUS4-60079
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Kingsbery, P.
A1 - Manzoni, Anna M.
A1 - Suárez Ocano, Patricia
A1 - Többens, D. M.
A1 - Stephan‐Scherb, C.
T1 - High‐temperature KCl‐induced corrosion of high Cr and Ni alloys investigated by in‐situ diffraction
N2 - High‐temperature KCl‐induced corrosion in laboratory air was observed in situ utilizing X‐ray diffraction. High Cr‐containing model alloys (Fe‐13Cr, Fe‐18Cr‐12Ni, and Fe‐25Cr‐20Ni) were coated with KCl and exposed to dry air at 560°C. KCl‐free alloys were studied in the equivalent atmosphere as a reference. After exposure to KCl‐free environments, all alloys showed the formation of very thin oxide layers, indicating good corrosion resistance. In contrast, KCl‐bearing alloys showed distinct damage after exposure.
KW - Corrosion
KW - In-situ diffraction
KW - High-temperature corrosion
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-600831
DO - https://doi.org/10.1002/maco.202314224
SN - 0947-5117
SP - 1
EP - 10
PB - Wiley VHC-Verlag
AN - OPUS4-60083
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Neumann, Christian
A1 - Thore, Johannes
A1 - Clozel, Mélanie
A1 - Günster, Jens
A1 - Wilbig, Janka
A1 - Meyer, Andreas
T1 - Additive manufacturing of metallic glass from powder in space
N2 - Additive manufacturing of metals – and in particular building with laser-based powder bed fusion – is highly flexible and allows high-resolution features and feedstock savings. Meanwhile, though space stations in low Earth orbit are established, a set of visits to the Moon have been performed, and humankind can send out rovers to explore Venus and Mars, none of these milestone missions is equipped with technology to manufacture functional metallic parts or tools in space. In order to advance space exploration to long-term missions beyond low Earth orbit, it will be crucial to develop and employ technology for in-space manufacturing (ISM) and in-situ resource utilisation (ISRU). To use the advantages of laser-based powder bed fusion in these endeavours, the challenge of powder handling in microgravity must be met. Here we present a device capable of building parts using metallic powders in microgravity. This was proven on several sounding rocket flights, on which occasions Zr-based metallic glass parts produced by additive manufacturing in space were built. The findings of this work demonstrate that building parts using powder feedstock, which is more compact to transport into space than wire, is possible in microgravity environments. This thus significantly advances ISRU and ISM and paves the way for future tests in prolonged microgravity settings.
KW - Metallic Glass
KW - Additive Manufacturing
KW - Space
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-600667
DO - https://doi.org/10.1038/s41526-023-00327-7
VL - 9
SP - 1
EP - 9
PB - Springer Nature
AN - OPUS4-60066
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Fareed, Adnan
A1 - Rosalie, Julian M.
A1 - Kar, Satyakam
A1 - Fähler, Sebastian
A1 - Maaß, Robert
T1 - Small-scale functional fatigue of a Ni-Mn-Ga Heusler alloy
N2 - Functional fatigue of shape-memory alloys is a considerable threat to the reliable service of actuation devices. Here, we demonstrate the essentially degradation-free cyclic phase-transformation behavior of Ni-Mn-Ga microcrystals up to one million stress-driven superelastic cycles. Cyclic dissipation amounts to about 1/5 of the bulk counterpart and remains unaffected during cycling, even after the introduction of dislocation structures via plastic straining. Plastic yielding and the transformation stress largely exceed the known bulk values. However, the transformation-stress is found to depend on plastic pre-straining, which suggests that the size-affected transformation stress is sensitive to the initial defect structure and that it can be tuned by a targeted introduction of dislocations. These findings demonstrate the high suitability of Ni-Mn-Ga as a robust shape-memory alloy in small-scale functional device engineering.
KW - Superelasticity
KW - Shape-memory alloys
KW - Functional fatigue
KW - Ni-Mn-Ga
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-600695
DO - https://doi.org/10.1016/j.actamat.2024.119988
VL - 274
SP - 1
EP - 10
PB - Elsevier B.V.
AN - OPUS4-60069
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - You, Yi
A1 - Danischewski, Julia
A1 - Molnar, Brian
A1 - Riedel, Jens
A1 - Shelley, Jacob
T1 - Manipulation of Gaseous Ions with Acoustic Fields at Atmospheric Pressure
N2 - The ability to controllably move gaseous ions is an essential aspect of ion-based spectrometry (e.g., mass spectrometry and ion mobility spectrometry) as well as materials processing. At higher pressures, ion motion is largely governed by diffusion and multiple collisions with neutral gas molecules. Thus, high-pressure ion optics based on electrostatics require large fields, radio frequency drives, complicated geometries, and/or partially transmissive grids that become contaminated. Here, we demonstrate that low-power standing acoustic waves can be used to guide, block, focus, and separate beams of ions akin to electrostatic ion optics. Ions preferentially travel through the static-pressure regions (“nodes”) while neutral gas does not appear to be impacted by the acoustic field structure and continues along a straight trajectory. This acoustic ion manipulation (AIM) approach has broad implications for ion manipulation techniques at high pressure, while expanding our fundamental understanding of the behavior of ions in gases.
KW - Ion mobility spectrometry
KW - Acoustic
KW - Mass spectrometry
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-600704
DO - https://doi.org/10.1021/jacs.4c01224
SP - 1
EP - 6
PB - ACS Publications
AN - OPUS4-60070
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Maulas, Kryzzyl M.
A1 - Paredes, Charla S.
A1 - Tabelin, Carlito Baltazar
A1 - Jose, Mark Anthony
A1 - Opiso, Einstine M.
A1 - Arima, Takahiko
A1 - Park, Ilhwan
A1 - Mufalo, Walubita
A1 - Ito, Mayumi
A1 - Igarashi, Toshifumi
A1 - Phengsaart, Theerayut
A1 - Villas, Edrhea
A1 - Dagondon, Sheila L.
A1 - Metillo, Ephrime B.
A1 - Uy, Mylene M.
A1 - Manua, Al James A.
A1 - Villacorte-Tabelin, Mylah
T1 - Isolation and Characterization of Indigenous Ureolytic Bacteria from Mindanao, Philippines: Prospects for Microbially Induced Carbonate Precipitation (MICP)
N2 - Microbially induced carbonate precipitation (MICP), a widespread phenomenon in nature, is gaining attention as a low-carbon alternative to ordinary Portland cement (OPC) in geotechnical engineering and the construction industry for sustainable development. In the Philippines, however, very few works have been conducted to isolate and identify indigenous, urease-producing (ureolytic) bacteria suitable for MICP. In this study, we isolated seven, ureolytic and potentially useful bacteria for MICP from marine sediments in Iligan City. DNA barcoding using 16s rDNA identified six of them as Pseudomonas stutzeri, Pseudomonas pseudoalcaligenes, Bacillus paralicheniformis, Bacillus altitudinis, Bacillus aryabhattai, and Stutzerimonas stutzeri but the seventh was not identified since it was a bacterial consortium. Bio-cementation assay experiments showed negligible precipitation in the control (without bacteria) at pH 7, 8, and 9. However, precipitates were formed in all seven bacterial isolates, especially between pH 7 and 8 (0.7–4 g). Among the six identified bacterial species, more extensive precipitation (2.3–4 g) and higher final pH were observed in S. stutzeri, and B. aryabhattai, which indicate better urease production and decomposition, higher CO2 generation, and more favorable CaCO3 formation. Characterization of the precipitates by scanning electron microscopy with energy dispersive X-ray spectroscopy (SEM-EDS) and attenuated total reflectance Fourier transform spectroscopy (ATR-FTIR) confirmed the formation of three carbonate minerals: calcite, aragonite, and vaterite. Based on these results, all six identified indigenous, ureolytic bacterial species from Iligan City are suitable for MICP provided that the pH is controlled between 7 and 8. To the best of our knowledge, this is the first report of the urease-producing ability and potential for MICP of P. stutzeri, P. pseudoalcaligenes, S. stutzeri, and B. aryabhattai.
KW - Calcium carbonate
KW - Microbially induced carbonate precipitation (MICP)
KW - Ureolytic bacteria
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-600888
DO - https://doi.org/10.3390/min14040339
VL - 14
IS - 4
SP - 1
EP - 15
PB - MDPI
AN - OPUS4-60088
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Hartwig, Philipp
A1 - Bakir, Nasim
A1 - Gumenyuk, Andrey
A1 - Scheunemann, Lisa
A1 - Schröder, Jörg
A1 - Rethmeier, Michael
T1 - A Physically Motivated Heat Source Model for Laser Beam Welding
N2 - In this contribution, we present a physically motivated heat source model for the numerical modeling of laser beam welding processes. Since the calibration of existing heat source models, such as the conic or Goldak model, is difficult, the representation of the heat source using so-called Lamé curves has been established, relying on prior Computational Fluid Dynamics (CFD) simulations.
Lamé curves, which describe the melting isotherm, are used in a subsequent finite-element (FE) simulation to define a moving Dirichlet boundary condition, which prescribes a constant temperature in the melt pool. As an alternative to this approach, we developed a physically motivated heat source model, which prescribes the heat input as a body load directly. The new model also relies on prior CFD simulations to identify the melting isotherm. We demonstrate numerical results of the new heat source model on boundary-value problems from the field of laser beam welding and compare it with the prior CFD simulation and the results of the Lamé curve model and experimental data.
KW - Welding simulation
KW - Heat source models
KW - Laser beam welding
KW - Thermal analysis
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-600899
DO - https://doi.org/10.3390/met14040430
VL - 14
IS - 4
SP - 1
EP - 26
PB - MDPI
CY - Basel
AN - OPUS4-60089
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Fiedler, Saskia
A1 - Frenzel, Florian
A1 - Würth, Christian
A1 - Tavernaro, Isabella
A1 - Grüne, M.
A1 - Schweizer, S.
A1 - Engel, A.
A1 - Resch-Genger, Ute
T1 - Interlaboratory Comparison on Absolute Photoluminescence Quantum Yield Measurements of Solid Light Converting Phosphors with Three Commercial Integrating Sphere Setups
N2 - Scattering luminescent materials dispersed in liquid and solid matrices and luminescent powders are increasingly relevant for fundamental research and industry. Examples are luminescent nano- and microparticles and phosphors of different compositions in various matrices or incorporated into ceramics with applications in energy conversion, solid-state lighting, medical diagnostics, and security barcoding. The key parameter to characterize the performance of these materials is the photoluminescence/fluorescence quantum yield (Φf), i.e., the number of emitted photons per number of absorbed photons. To identify and quantify the sources of uncertainty of absolute measurements of Φf of scattering samples, the first interlaboratory comparison (ILC) of three laboratories from academia and industry was performed by following identical measurement protocols. Thereby, two types ofcommercial stand-alone integrating sphere setups with different illumination and detection geometries were utilized for measuring the Φf of transparent and scattering dye solutions and solid phosphors, namely, YAG:Ce optoceramics of varying surface roughness, used as converter materials for blue light emitting diodes. Special emphasis was dedicated to the influence of the measurement geometry, the optical properties of the blank utilized to determine the number of photons of the incident excitation light absorbed by the sample, and the sample-specific surface roughness. While the Φf values of the liquid samples matched between instruments, Φf measurements of the optoceramics with different blanks revealed substantial differences. The ILC results underline the importance of the measurement geometry, sample position, and blank for reliable Φf data of scattering the YAG:Ce optoceramics, with the blank’s optical properties accounting for uncertainties exceeding 20%.
KW - Nano
KW - Fluorescence
KW - Reference material
KW - Luminescence
KW - Quantitative spectroscopy
KW - Particle
KW - Quantum yield
KW - Quality assurance
KW - Phosphor
KW - Converter material
KW - Lifetime
KW - Interlaboratory comparison
KW - Method
KW - Uncertainty
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-600945
DO - https://doi.org/10.1021/acs.analchem.4c00372
SN - 0003-2700
SP - 6730
EP - 6737
PB - ACS Publications
AN - OPUS4-60094
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Schlögl, Johanna
A1 - Goldammer, Ole
A1 - Bader, Julia
A1 - Emmerling, Franziska
A1 - Riedel, Sebastian
T1 - Introducing AFS ([Al(SO3F)3]x) – a thermally stable, readily available, and catalytically active solid Lewis superacid
N2 - This paper introduces the thermally stable, solid Lewis superacid aluminium tris(fluorosulfate) (AFS), that is easy-to-synthesize from commercially available starting materials. Its applicability, e.g. in catalytic C–F bond activations, is shown.
KW - Lewis Acid
KW - C-F activation
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-601001
DO - https://doi.org/10.1039/D4SC01753F
SN - 2041-6520
SP - 1
EP - 7
PB - Royal Society of Chemistry (RSC)
AN - OPUS4-60100
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Eberwein, Robert
A1 - Hajhariri, Aliasghar
A1 - Davide, Camplese
A1 - Giordano, Emrys Scarponi
A1 - Valerio, Cozzani
A1 - Frank, Otremba
T1 - Experimental investigation on the behavior of thermal super insulation materials for cryogenic storage tanks in fire incidents
N2 - The number of vehicles using or transporting cryogenic fuels such as Liquefied Hydrogen (LH2) or Liquefied Natural Gas (LNG) increases fast in the land transportation sector. Does this also entail new risks? The storage of cryogenic fuels requires tanks with Thermal Super Insulations (TSI) to keep the fluid cold and limit the formation of boil-off gas. TSI has proven itself in some applications since the middle of the 20th century, but in the land transport sector they are still quite new, where accidents involving fires, collisions, and their combination are to be expected. This work focuses on investigating the behavior of different types of TSI while exposed to a heat source representing a fire. To this aim, a High-Temperature Thermal Vacuum Chamber (HTTVC) was applied, which allows the thermal loading of a thermal insulation material in a vacuum and measuring the heat flow transported through the TSI in parallel. In this study, the results of 6 samples are presented regarding 3 types of MLI, rock wool, perlites, and microspheres. The thermal exposure caused different effects on the samples. In practice, this can be connected to the rapid release of flammable gases as well as to a Boiling Liquid Expanding Vapour Explosion (BLEVE). These results are relevant for reducing the risks to people and infrastructures in the progressive establishment of tanks for cryogenic fluids in our industry and society. The data presented in the study can be used to improve the design of tanks and TSIs, the assessment of accident scenarios, and the development of measures for first responders.
KW - Liquefied hydrogen
KW - Liquefied natural gas
KW - Tanks
KW - Fire
KW - Insulation
KW - MLI
KW - Perlite
KW - Rock wool
KW - Microspheres
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-599947
DO - https://doi.org/10.1016/j.psep.2024.04.131
SN - 0957-5820
VL - 187
SP - 240
EP - 248
PB - Elsevier
AN - OPUS4-59994
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Hoffmann, Moritz
A1 - Stawarczyk, Bogna
A1 - Günster, Jens
A1 - Zocca, Andrea
T1 - Influence of additives and binder on the physical properties of dental silicate glass-ceramic feedstock for additive manufacturing
N2 - Objectives
The aim of the study was to investigate the impact of organic additives (binder, plasticizer, and the cross-linking ink) in the formulation of water-based feedstocks on the properties of a dental feldspathic glass-ceramic material developed for the slurry-based additive manufacturing technology “LSD-print.”
Material and methods
Three water-based feldspathic feedstocks were produced to study the effects of polyvinyl alcohol (AC1) and poly (sodium 4-styrenesulfonate) (AC2) as binder systems. A feedstock without organic additives was tested as the control group (CG). Disc-shaped (n = 15) and bar (n = 7) specimens were slip-cast and characterized in the green and fired states. In the green state, density and flexural strength were measured. In the fired state, density, shrinkage, flexural strength (FS), Weibull modulus, fracture toughness (KIC), Martens parameters, and microstructure were analyzed. Disc-shaped and bar specimens were also cut from commercially available CAD/CAM blocks and used as a target reference (TR) for the fired state.
Results
In the green state, CG showed the highest bulk density but the lowest FS, while the highest FS in the green state was achieved with the addition of a cross-linking ink. After firing, no significant differences in density and a similar microstructure were observed for all slip-cast groups, indicating that almost complete densification could be achieved. The CAD/CAM specimens showed the highest mean FS, Weibull modulus, and KIC, with significant differences between some of the slip-cast groups.
Significance
These results suggest that the investigated feedstocks are promising candidates for the slurry-based additive manufacturing of restorations meeting the class 1a requirements according to DIN EN ISO 6871:2019–01.
KW - Firing
KW - 3D-printing
KW - Silicate glass-ceramics
KW - Debinding
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-600516
DO - https://doi.org/10.1016/j.jmbbm.2024.106563
SN - 1751-6161
VL - 155
SP - 1
EP - 12
PB - Elsevier B.V.
AN - OPUS4-60051
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Elert, Anna Maria
A1 - Chen, Yong-Cin
A1 - Smales, Glen J.
A1 - Topolniak, Ievgeniia
A1 - Sturm, Heinz
A1 - Schönhals, Andreas
A1 - Szymoniak, Paulina
T1 - Effects of the charge density of nanopapers based on carboxymethylated cellulose nanofibrils investigated by complementary techniques
N2 - Cellulose nanofibrils (CNFs) with different charge densities were prepared and investigated by a combination of different complementary techniques sensitive to the structure and molecular dynamics of the system. The morphology of the materials was investigated by scanning electron microscopy (SEM) and X-ray scattering (SAXS/WAXS). The latter measurements were quantitatively analyzed yielding to molecular parameters in dependence of the charge density like the diameter of the fibrils, the distance between the fibrils, and the dimension of bundles of nanofibrils, including pores. The influence of water on the properties and the charge density is studied by thermogravimetric analysis (TGA), differential scanning calorimetry (DSC) and broadband dielectric spectroscopy. The TGA measurements reveal two mass loss processes. The one at lower temperatures was related to the loss of water, and the second process at higher temperatures was related to the chemical decomposition. The resulting char yield could be correlated to the distance between the microfibrils. The DSC investigation for hydrated CNFs revealed three glass transitions due to the cellulose segments surrounded by water molecules in different states. In the second heating scan, only one broad glass transition is observed. The dielectric spectra reveal two relaxation processes. At low temperatures or higher frequencies, the β-relaxation is observed, which is assigned to localized fluctuation of the glycosidic linkage. At higher temperatures and lower frequencies, the α-relaxation takes places. This relaxation is due to cooperative fluctuations in the cellulose segments. Both processes were quantitatively analyzed. The obtained parameters such as the relaxation rates were related to both the morphological data, the charge density, and the content of water for the first time.
KW - Cellulose nanofibrils
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-600528
DO - https://doi.org/https://doi.org/10.1021/acsomega.4c00255
SN - 2470-1343
VL - 9
SP - 20152
EP - 20166
PB - ACS
AN - OPUS4-60052
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Silbernagl, Dorothee
A1 - Szymoniak, Paulina
A1 - Tavasolyzadeh, Zeynab
A1 - Sturm, Heinz
A1 - Topolniak, Ievgeniia
T1 - Multiphoton lithography of interpenetrating polymer networks for tailored microstructure thermal and micromechanical properties
N2 - Multiphoton lithography (MPL), an emerging truly 3D microfabrication technique, exhibits substantial potential in biomedical applications, including drug delivery and tissue engineering. Fabricated micro-objects are often expected to undergo shape morphing or bending of the entire structure or its parts. Furthermore, ensuring precise property tuning is detrimental to the realization of the functionality of MPL microstructures. Herein, novel MPL materials based on interpenetrating polymer networks (IPNs) are presented that effectively combine the advantages of acrylate and epoxy systems. IPNs with varying component ratios are investigated for their microfabrication performance and structural integrity with respect to thermal and micromechanical properties. A variety of high-resolution techniques is applied to comprehensively evaluate IPN properties at the bulk, micron, and segmental levels. This study shows that the MPL laser scanning velocity and power, photoinitiator content, and multi-step exposure can be used to tune the morphology and properties of the IPN. As a result, a library of 3D MPL IPN microstructures with high 3D structural stability and tailored thermal and micromechanical properties is achieved. New IPN microstructures with Young’s moduli of 3–4 MPa demonstrate high-to-fully elastic responses to deformations, making them promising for applications in morphable microsystems, soft micro-robotics, and cell engineering.
KW - Interpenetrating polymer network
KW - Multiphoton lithography
KW - Atomic force microscopy
KW - Intermodulation AFM
KW - Fast scanning calorimetry
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-600593
DO - https://doi.org/10.1002/smll.202310580
SN - 1613-6810
SP - 1
EP - 12
PB - Wiley-VCH
CY - Weinheim
AN - OPUS4-60059
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Herter, Sven-Oliver
A1 - Koch, Matthias
A1 - Haase, Hajo
T1 - First Synthesis of Ergotamine-13CD3 and Ergotaminine-13CD3 from Unlabeled Ergotamine
N2 - Ergot alkaloids (EAs) formed by Claviceps fungi are one of the most common food contaminants worldwide, affecting cereals such as rye, wheat, and barley. To accurately determine the level of contamination and to monitor EAs maximum levels set by the European Union, the six most common EAs (so-called priority EAs) and their corresponding epimers are quantified using high-performance liquid chromatography coupled with tandem mass spectrometry (HPLC-MS/MS). The quantification of EAs in complex food matrices without appropriate internal tandards is challenging but currently carried out in the standard method EN 7425:2021 due to their commercial unavailability. To address the need for isotopically labeled EAs, we focus on two semi-synthetic approaches for the synthesis of these reference standards. Therefore, we investigate the feasibility of the N6-demethylation of native ergotamine to yield norergotamine, which can subsequently be remethylated with an isotopically labeled methylating reagent, such as iodomethane (13CD3-I), to yield isotopically labeled ergotamine and its C8-epimer ergotaminine. Testing the isotopically labeled ergotamine/-inine against native ergotamine/-inine with HPLC coupled to high-resolution HR-MS/MS proved the structure of ergotamine-13CD3 and ergotaminine-13CD3. Thus, for the first time, we can describe their synthesis from unlabeled, native ergotamine. Furthermore, this approach is promising as a universal way to synthesize other isotopically labeled EAs.
KW - Reference Material
KW - HPLC-MS/MS
KW - Mycotoxins
KW - Standards
KW - Organic Synthesis
KW - Isotope
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-600167
DO - https://doi.org/10.3390/toxins16040199
VL - 16
IS - 4
SP - 1
EP - 12
PB - MDPI
AN - OPUS4-60016
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Feng, W.
A1 - Gemming, T.
A1 - Giebeler, L.
A1 - Qu, J.
A1 - Weinel, Kristina
A1 - Agudo Jácome, Leonardo
A1 - Büchner, B.
A1 - Gonzalez-Martinez, I.
T1 - Influence of magnetic field on electron beam-induced Coulomb explosion of gold microparticles in transmission electron microscopy
N2 - In this work we instigated the fragmentation of Au microparticles supported on a thin amorphous carbon film by irradiating them with a gradually convergent electron beam inside the Transmission Electron Microscope. This phenomenon has been generically labeled as ‘‘electron beam-induced fragmentation’’ or EBIF and its physical origin remains contested. On the one hand, EBIF has been primarily characterized as a consequence of beam-induced heating. On the other, EBIF has been attributed to beam-induced charging eventually leading to Coulomb explosion. To test the feasibility of the charging framework for EBIF, we instigated the fragmentation of Au particles under two different experimental conditions. First, with the magnetic objective lens of the microscope operating at full capacity, i.e. background magnetic field 𝐵 = 2 T, and with the magnetic objective lens switched off (Lorenz mode), i.e. 𝐵 = 0 T. We observe that the presence or absence of the magnetic field noticeably affects the critical current density at which EBIF occurs. This strongly suggests that magnetic field effects play a crucial role in instigating EBIF on the microparticles. The dependence of the value of the critical current density on the absence or presence of an ambient magnetic field cannot be accounted for by the beam-induced heating model. Consequently, this work presents robust experimental evidence suggesting that Coulomb explosion driven by electrostatic charging is the root cause of EBIF.
KW - Electron beam-induced fragmentation
KW - Coulomb explosion
KW - X-ray diffraction
KW - Lorenz transmission electron microscopy
KW - Electron beam-induced charging
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-600170
DO - https://doi.org/10.1016/j.ultramic.2024.113978
VL - 262
SP - 1
EP - 8
PB - Elsevier B.V.
AN - OPUS4-60017
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Ratkovac, Mirjana
A1 - Gerards-Wünsche, Paul
A1 - Thiele, Marc
A1 - Brackrock, Daniel
A1 - Stamm, Michael
T1 - Detection and monitoring of the fatigue crack growth on welds – Application-oriented use of NDT methods
N2 - Early detection of fatigue cracks and accurate measurements of the crack growth play an important role in the maintenance and repair strategies of steel structures exposed to cyclic loads during their service life. Observation of welded connections is especially of high relevance due to their higher susceptibility to fatigue damage. The aim of this contribution was to monitor fatigue crack growth in thick welded specimens during fatigue tests as holistically as possible, by implementing multiple NDT methods simultaneously in order to record the crack initiation and propagation until the final fracture. In addition to well-known methods such as strain gauges, thermography, and ultrasound, the crack luminescence method developed at the Bundesanstalt für Materialforschung und -prüfung (BAM), which makes cracks on the surface particularly visible, was also used. For data acquisition, a first data fusion concept was developed and applied in order to synchronize the data of the different methods and to evaluate them to a large extent automatically. The resulting database can ultimately also be used to access, view, and analyze the experimental data for various NDT methods. During the conducted fatigue tests, the simultaneous measurements of the same cracking process enabled a comprehensive comparison of the methods, highlighting their individual strengths and limitations. More importantly, they showed how a synergetic combination of different NDT methods can be beneficial for implementation in large-scale fatigue testing but also in monitoring and inspection programs of in-service structures - such as the support structures of offshore wind turbines.
T2 - Fatigue Design 2023 (FatDes 2023)
CY - Senlis, France
DA - 29.11.2023
KW - Fatigue
KW - Welded
KW - NDT
KW - Crack growth
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-600238
DO - https://doi.org/10.1016/j.prostr.2024.03.062
VL - 57
SP - 560
EP - 568
PB - Elsevier B.V.
AN - OPUS4-60023
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Feng, Wen
A1 - Gemming, Thomas
A1 - Giebeler, Lars
A1 - Qu, Jiang
A1 - Weinel, Kristina
A1 - Agudo Jácome, Leonardo
A1 - Büchner, Bernd
A1 - González-Martínez, Ignacio
T1 - Influence of magnetic field on electron beam-induced Coulomb explosion of gold microparticles in transmission electron microscopy
N2 - In this work we instigated the fragmentation of Au microparticles supported on a thin amorphous carbon film by irradiating them with a gradually convergent electron beam inside the Transmission Electron Microscope. This phenomenon has been generically labeled as “electron beam-induced fragmentation” or EBIF and its physical origin remains contested. On the one hand, EBIF has been primarily characterized as a consequence of beam-induced heating. On the other, EBIF has been attributed to beam-induced charging eventually leading to Coulomb explosion. To test the feasibility of the charging framework for EBIF, we instigated the fragmentation of Au particles under two different experimental conditions. First, with the magnetic objective lens of the microscope operating at full capacity, i.e. background magnetic field B = 2 T, and with the magnetic objective lens switched off (Lorenz mode), i.e. B = 0 T. We observe that the presence or absence of the magnetic field noticeably affects the critical current density at which EBIF occurs. This strongly suggests that magnetic field effects play a crucial role in instigating EBIF on the microparticles. The dependence of the value of the critical current density on the absence or presence of an ambient magnetic field cannot be accounted for by the beam-induced heating model. Consequently, this work presents robust experimental evidence suggesting that Coulomb explosion driven by electrostatic charging is the root cause of EBIF.
KW - Electron beam-induced fragmentation
KW - Coulomb explosion
KW - X-ray diffraction
KW - Lorenz transmission electron microscopy
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-600247
DO - https://doi.org/10.1016/j.ultramic.2024.113978
SN - 0304-3991
VL - 262
SP - 1
EP - 8
PB - Elsevier B.V.
CY - Amsterdam
AN - OPUS4-60024
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Zia, Ghezal Ahmad Jan
A1 - Hanke, Thomas
A1 - Skrotzki, Birgit
A1 - Völker, Christoph
A1 - Bayerlein, Bernd
T1 - Enhancing Reproducibility in Precipitate Analysis: A FAIR Approach with Automated Dark-Field Transmission Electron Microscope Image Processing
N2 - AbstractHigh-strength aluminum alloys used in aerospace and automotive applications obtain their strength through precipitation hardening. Achieving the desired mechanical properties requires precise control over the nanometer-sized precipitates. However, the microstructure of these alloys changes over time due to aging, leading to a deterioration in strength. Typically, the size, number, and distribution of precipitates for a quantitative assessment of microstructural changes are determined by manual analysis, which is subjective and time-consuming. In our work, we introduce a progressive and automatable approach that enables a more efficient, objective, and reproducible analysis of precipitates. The method involves several sequential steps using an image repository containing dark-field transmission electron microscopy (DF-TEM) images depicting various aging states of an aluminum alloy. During the process, precipitation contours are generated and quantitatively evaluated, and the results are comprehensibly transferred into semantic data structures. The use and deployment of Jupyter Notebooks, along with the beneficial implementation of Semantic Web technologies, significantly enhances the reproducibility and comparability of the findings. This work serves as an exemplar of FAIR image and research data management.
KW - Industrial and Manufacturing Engineering
KW - General Materials Science
KW - Automated image analysis
KW - FAIR research data management
KW - Reproducibility
KW - microstructural changes
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-593905
DO - https://doi.org/10.1007/s40192-023-00331-5
SN - 2193-9772
SP - 1
EP - 15
PB - Springer Science and Business Media LLC
CY - Heidelberg
AN - OPUS4-59390
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Sieg, Holger
A1 - Schaar, Caroline
A1 - Fouquet, Nicole
A1 - Böhmert, Linda
A1 - Thünemann, Andreas
A1 - Braeuning, Albert
T1 - Particulate iron oxide food colorants (E 172) during artificial digestion and their uptake and impact on intestinal cells
N2 - Iron oxide of various structures is frequently used as food colorant (E 172). The spectrum of colors ranges from yellow over orange, red, and brown to black, depending on the chemical structure of the material. E 172 is mostly sold as solid powder. Recent studies have demonstrated the presence of nanoscaled particles in E 172 samples, often to a very high extent. This makes it necessary to investigate the fate of these particles after oral uptake. In this study, 7 differently structured commercially available E 172 food colorants (2 x Yellow FeO(OH), 2 x Red Fe2O3, 1 x Orange Fe2O3 + FeO(OH) and 2 x Black Fe3O4) were investigated for particle dissolution, ion release, cellular uptake, crossing of the intestinal barrier and toxicological impact on intestinal cells. Dissolution was analyzed in water, cell culture medium and artificial digestion fluids. Small-angle X-ray scattering (SAXS) was employed for determination of the specific surface area of the colorants in the digestion fluids. Cellular uptake, transport and toxicological effects were studied using human differentiated Caco-2 cells as an in vitro model of the intestinal barrier. For all materials, a strong interaction with the intestinal cells was observed, albeit there was only a limited dissolution, and no toxic in vitro effects on human cells were recorded.
KW - Toxicology
KW - Nanoparticles
KW - Small-angle X-ray scattering
KW - SAXS
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-593935
DO - https://doi.org/10.1016/j.tiv.2024.105772
VL - 96
SP - 1
EP - 12
PB - Elsevier BV
AN - OPUS4-59393
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Paul, Maxi B.
A1 - Böhmert, Linda
A1 - Thünemann, Andreas
A1 - Loeschner, Katrin
A1 - Givelet, Lucas
A1 - Fahrenson, Christoph
A1 - Braeuning, Albert
A1 - Sieg, Holger
T1 - Influence of artificial digestion on characteristics and intestinal cellular effects of micro-, submicro- and nanoplastics
N2 - The production of plastics is rising since they have been invented. Micro, submicro- and nanoplastics are produced intentionally or generated by environmental processes, and constitute ubiquitous contaminants which are ingested orally by consumers. Reported health concerns include intestinal translocation, inflammatory response, oxidative stress and cytotoxicity. Every digestive milieu in the gastrointestinal tract does have an influence on the properties of particles and can cause changes in their effect on biological systems. In this study, we subjected plastic particles of different materials (polylactic acid, polymethylmethacrylate, melamine formaldehyde) and sizes (micro- to nano-range) to a complex artificial digestion model consisting of three intestinal fluid simulants (saliva, gastric and intestinal juice). We monitored the impact of the digestion process on the particles by performing Dynamic Light Scattering, Scanning Electron Microscopy and Asymmetric Flow Field-Flow Fractionation. An in vitro model of the intestinal epithelial barrier was used to monitor cellular effects and translocation behavior of (un)digested particles. In conclusion, artificial digestion decreased cellular interaction and slightly increased transport of all particles across the intestinal barrier. The interaction with organic matter resulted in clear differences in the agglomeration behavior. Moreover, we provide evidence for polymer-, size- and surface-dependent cellular effects of the test particles.
KW - Toxicology
KW - Nanoparticles
KW - Dynamic Light Scattering
KW - Nanoplastics
KW - Microplastics
KW - Reference Method
KW - Reference Material
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-593947
DO - https://doi.org/10.1016/j.fct.2023.114423
VL - 184
SP - 1
EP - 16
PB - Elsevier BV
AN - OPUS4-59394
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Ginés-Palomares, J.-C.
A1 - Fateri, M.
A1 - Schubert, T.
A1 - de Peindray d’Ambelle, L.
A1 - Simon, Sebastian
A1 - Gluth, Gregor
A1 - Günster, Jens
A1 - Zocca, Andrea
T1 - Material aspects of sintering of EAC-1A lunar regolith simulant
N2 - Future lunar exploration will be based on in-situ resource utilization (ISRU) techniques. The most abundant raw material on the Moon is lunar regolith, which, however, is very scarce on Earth, making the study of simulants a necessity. The objective of this study is to characterize and investigate the sintering behavior of EAC-1A lunar regolith simulant. The characterization of the simulant included the determination of the phase assemblage, characteristic temperatures determination and water content analysis. The results are discussed in the context of sintering experiments of EAC-1A simulant, which showed that the material can be sintered to a relative density close to 90%, but only within a very narrow range of temperatures (20–30 °C). Sintering experiments were performed for sieved and unsieved, as well as for dried and non-dried specimens of EAC-1A. In addition, an analysis of the densification and mechanical properties of the sintered specimens was done. The sintering experiments at different temperatures showed that the finest fraction of sieved simulant can reach a higher maximum sintering temperature, and consequently a higher densification and biaxial strength. The non-dried powder exhibited higher densification and biaxial strength after sintering compared to the dried specimen. This difference was explained with a higher green density of the non-dried powder during pressing, rather than due to an actual influence on the sintering mechanism. Nevertheless, drying the powder prior to sintering is important to avoid the overestimation of the strength of specimens to be fabricated on the Moon.
KW - Lunar regolith
KW - Ceramics
KW - Microstructure
KW - Sintering
KW - Softening temperature
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-592668
DO - https://doi.org/10.1038/s41598-023-50391-y
SN - 2045-2322
VL - 13
SP - 1
EP - 14
PB - Springer Nature
AN - OPUS4-59266
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Rieger, Philip
A1 - Magnall, Joseph M.
A1 - Gleeson, Sarah A.
A1 - Oelze, Marcus
T1 - Pyrite chemistry records a multistage ore forming system at the Proterozoic George Fisher massive sulfide Zn-Pb-Ag deposit, Mount Isa, Australia
N2 - Trace element (TE) analysis of pyrite via LA-ICP-MS can be used to reconstruct the conditions of pyrite formation in complex mineral systems. The Carpentaria province in northern Australia is host to some of the world’s highest value Zn-Pb (+Ag, Cu) deposits. The genesis of many of these deposits is controversial, with competing models of single-vs. multi-stage ore formation. In this study, LA-ICP-MS data of paragenetically constrained pyrite from the George Fisher Zn-Pb-Ag deposit has been analysed to investigate the chemistry of different stages of ore formation. Pyrite from correlative unmineralized host rocks has also been analysed to investigate evidence of distal hydrothermal anomalism. All LA-ICP-MS data have been statistically evaluated (principal component analysis) and interpreted together with whole rock lithogeochemical data of the same samples. Pre-ore diagenetic pyrite is compositionally similar to other Proterozoic diagenetic pyrite, with some evidence of minor hydrothermal anomalism that with further analysis could help define distal alteration. Pyrite from the different ore stages are compositionally distinct, consistent with a multi-stage system. Ore stage 1 pyrite exceeds background contents of Co, Cu, Zn, As, Ag, Sb, Tl, and Pb and has elevated Co/Ni ratios, whereas only Ni and Co are above background abundances in ore stage 2 and 3 pyrite, of which only ore stage 3 pyrite has high Co/Ni ratios. Ore stage 1 pyrite has a similar composition to hydrothermal pyrite in the undeformed northern Carpentaria CD-type deposits and was likely syn-diagenesis. Ore stage 2 was syn-deformation, and resulted in replacement and recrystallization of pre-existing pyrite, and the expulsion of incompatible TEs. Ore stage 3 formed via a later Cu-Zn-Pb mineralizing event that resulted in a new geochemically distinct generation of Co-rich pyrite. Overall, this study demonstrates the value of paragenetically-constrained pyrite TE data for refining genetic models in complex sediment hosted mineral systems.
KW - General Earth and Planetary Sciences
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-590407
DO - https://doi.org/10.3389/feart.2023.892759
VL - 11
SP - 1
EP - 19
PB - Frontiers Media SA
AN - OPUS4-59040
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
ED - Schraut, Katharina
ED - Adamczyk, Burkart
ED - Adam, Christian
ED - Stephan, D.
ED - Simon, Sebastian
ED - von Werder, Julia
ED - Meng, Birgit
T1 - Production of a hydraulic material from post treated steelmaking slags
N2 - Steelmaking slag is a by-product of steel production, of which 4.5 Mt were produced in 2020 in Germany alone. It is mainly used in road construction, earthwork and hydraulic engineering. A smaller part is returned to the metallurgical cycle, used as fertiliser or landfilled.
With this use, iron oxides still contained in steelmaking slag are lost. In addition, the possibility of producing higher-grade products from steelmaking slag is foregone. In recent decades, many researchers have investigated the production of Portland cement clinker and crude iron from basic oxygen furnace slags (BOFS) via a reductive treatment. Carbothermal treatment of liquid BOFS causes a reduction of iron oxides to metallic iron, which separates from the mineral phase due to its higher density. Simultaneously, the chemical composition of the reduced slag is adapted to that of Portland cement clinker.
In this study, German BOFS was reduced in a small-scale electric arc furnace using petrol coke as a reducing agent. The resulting low-iron mineral product has a similar chemical composition to Portland cement clinker and was rich in the tricalcium silicate solid solution alite (Ca3SiO5). Based on its chemical and mineralogical composition, similar to that of Portland cement clinker, the reduced BOFS has the potential to react comparably. In our study, the reduced BOFS produced less hydration heat than OPC, and its hydraulic reaction was delayed. However, adding gypsum has shown to accelerate the hydration rate of the reduced BOFS compared to that known from the calcium silicates of Portland cement clinker.
Further research to improve the hydraulic properties of the reduced slag is essential. If successful, producing a hydraulic binder and crude iron from BOFS has economic and ecological benefits for both the cement and steel industries.
T2 - The 16th International Congress on the Chemistry of Cement 2023 (ICCC2023)
CY - Bangkok, Thailand
DA - 18.09.2023
KW - Steelmaking slag
KW - Alite
KW - Clinker substitute
KW - Hydraulic reactivity
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-590522
UR - https://www.iccc-online.org/archive/
SP - 432
EP - 436
CY - Bangkok
AN - OPUS4-59052
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Knabe, Christine
A1 - Adel-Khattab, Doaa
A1 - Rezk, Mohamed
A1 - Cheng, Jia
A1 - Berger, Georg
A1 - Gildenhaar, Renate
A1 - Wilbig, Janka
A1 - Günster, Jens
A1 - Rack, Alexander
A1 - Heiland, Max
A1 - Knauf, Tom
A1 - Stiller, Michael
T1 - Osteogenic Effect of a Bioactive Calcium Alkali Phosphate Bone Substitute in Humans
N2 - (1) Background: The desire to avoid autograft harvesting in implant dentistry has prompted an ever-increasing quest for bioceramic bone substitutes, which stimulate osteogenesis while resorbing in a timely fashion. Consequently, a highly bioactive silicon containing calcium alkali orthophosphate (Si-CAP) material was created, which previously was shown to induce greater bone cell maturation and bone neo-formation than β-tricalcium phosphate (β-TCP) in vivo as well as in vitro. Our study tested the hypothesis that the enhanced effect on bone cell function in vitro and in sheep in vivo would lead to more copious bone neoformation in patients following sinus floor augmentation (SFA) employing Si-CAP when compared to β-TCP. (2) Methods: The effects of Si-CAP on osteogenesis and Si-CAP resorbability were evaluated in biopsies harvested from 38 patients six months after SFA in comparison to β-TCP employing undecalcified histology, histomorphometry, and immunohistochemical analysis of osteogenic marker expression. (3) Results: Si-CAP as well as β-TCP supported matrix mineralization and bone formation. Apically furthest away from the original bone tissue, Si-CAP induced significantly higher bone formation, bone-bonding (bone-bioceramic contact), and granule resorption than β-TCP. This was in conjunction with a higher expression of osteogenic markers. (4) Conclusions: Si-CAP induced higher and more advanced bone formation and resorbability than β-TCP, while β-TCP’s remarkable osteoconductivity has been widely demonstrated. Hence, Si-CAP constitutes a well-suited bioactive graft choice for SFA in the clinical arena.
KW - Silicon release
KW - Bioceramics
KW - Calcium alkali orthophosphate materials
KW - Bioactive bone grafting material
KW - Bioactivity
KW - Osteogenesis
KW - Bone regeneration
KW - Sinus floor augmentation
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-591015
DO - https://doi.org/10.3390/bioengineering10121408
VL - 10
IS - 12
SP - 1
EP - 15
PB - MDPI
AN - OPUS4-59101
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Rosen, Andrew S.
A1 - Gallant, Max
A1 - George, Janine
A1 - Riebesell, Janosh
A1 - Sahasrabuddhe, Hrushikesh
A1 - Shen, Jimmy-Xuan
A1 - Wen, Mingjian
A1 - Evans, Matthew L.
A1 - Petretto, Guido
A1 - Waroquiers, David
A1 - Rignanese, Gian-Marco
A1 - Persson, Kristin A.
A1 - Jain, Anubhav
A1 - Ganose, Alex M.
T1 - Jobflow: Computational Workflows Made Simple
N2 - We present Jobflow, a domain-agnostic Python package for writing computational workflows tailored for high-throughput computing applications. With its simple decorator-based approach, functions and class methods can be transformed into compute jobs that can be stitched together into complex workflows. Jobflow fully supports dynamic workflows where the full acyclic graph of compute jobs is not known until runtime, such as compute jobs that launch
other jobs based on the results of previous steps in the workflow. The results of all Jobflow compute jobs can be easily stored in a variety of filesystem- and cloud-based databases without the data storage process being part of the underlying workflow logic itself. Jobflow has been intentionally designed to be fully independent of the choice of workflow manager used to dispatch the calculations on remote computing resources. At the time of writing, Jobflow
workflows can be executed either locally or across distributed compute environments via an adapter to the FireWorks package, and Jobflow fully supports the integration of additional workflow execution adapters in the future.
KW - Automation
KW - Workflow
KW - Computational Materials Science
KW - Computations
KW - Software
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-593104
DO - https://doi.org/10.21105/joss.05995
VL - 9
IS - 93
SP - 1
EP - 7
PB - The Open Journal
AN - OPUS4-59310
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Hildebrandt, R.
A1 - Seifert, M.
A1 - George, Janine
A1 - Blaurock, S.
A1 - Botti, S.
A1 - Krautscheid, H.
A1 - Grundmann, M.
A1 - Sturm, C.
T1 - Determination of acoustic phonon anharmonicities via second-order Raman scattering in CuI
N2 - We demonstrate the determination of anharmonic acoustic phonon properties via second-order Raman scattering exemplarily on copper iodide single crystals. The origin of multi-phonon features from the second-order Raman spectra was assigned by the support of the calculated 2-phonon density of states. In this way, the temperature dependence of acoustic phonons was determined down to 10 K. To determine independently the harmonic contributions of respective acoustic phonons, density functional theory in quasi-harmonic approximation was used. Finally, the anharmonic contributions were determined. The results are in agreement with earlier publications and extend CuI’s determined acoustic phonon properties to lower temperatures with higher accuracy. This approach demonstrates that it is possible to characterize the acoustic anharmonicities via Raman scattering down to zero-temperature renormalization constants of at least 0.1 cm⁻¹.
KW - Thermoelectrics
KW - Thermal transport
KW - Phonon interactions
KW - Density functional theory
KW - Phonons
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-593164
DO - https://doi.org/10.1088/1367-2630/ad1141
SN - 1367-2630
VL - 25
IS - 12
SP - 1
EP - 12
PB - IOP Publishing
CY - London
AN - OPUS4-59316
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 - Fire Behavior of Pressure-sensitive Adhesive Tapes and Bonded Materials
N2 - Pressure-sensitive adhesive tapes are used in several industrial applications such as con-struction, railway vehicles and the automotive sector,where the burning behavior is ofcrucial importance. Flame retarded adhesivetapes are developed and provided, however,often without considering the interaction of adhesive tapes and the bonded materialsduring burning nor the contribution of the tapes to fire protection goal of the bondedcomponents in distinct fire tests. This publication delivers an empirical comprehensiveknowledge how adhesive tapes and their flame retardancy effect the burning behaviorof bonded materials. With a special focus on the interaction between the single compo-nents, one flame retarded tape and one tapewithout flame retardant are examined inscenarios of emerging and developing fires, along with their bonds with the commonmaterials wood, zinc-plated steel, mineral wool, polycarbonate, and polymethylmethacry-late. The flame retardant significantly improved the flame retardancy of the tape as afree-standing object and yielded a V-2 rating in UL 94 vertical test and raised the OxygenIndex by 5 vol.%. In bonds, or rather laminates, the investigations prove that the choiceof carrier and substrates are the factors with the greatest impact on the fire propertiesand can change the peak of heat release rate and the maximum average rate of heatemission up to 25%. This research yielded a good empirical overall understanding of thefire behavior of adhesive tapes and bonded materials. Thus, it serves as a guide for tapemanufacturers and applicants to develop tapes and bonds more substrate specific.
KW - Adhesives
KW - Cone calorimeter
KW - Flame retardancy
KW - Laminates
KW - Phosphorus flame retardants
KW - Pressure-sensitive adhesive
KW - Tapes
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-593207
DO - https://doi.org/10.1002/fam.3171
SN - 0308-0501
SN - 1099-1018
VL - 48
IS - 1
SP - 114
EP - 127
PB - Wiley
CY - New York, NY
AN - OPUS4-59320
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Kindrachuk, Vitaliy
A1 - Darvishi Kamachali, Reza
T1 - Mean-field modeling and phase-field simulation of grain growth under directional driving forces
N2 - Directional grain growth is a common phenomenon in the synthetic and natural evolution of various polycrystals. It occurs in the presence of an external driving force, such as a temperature gradient, along which grains show a preferred, yet competitive, growth. Novel additive manufacturing processes, with intense, localized energy deposition, are prominent examples of when directional grain growth can occur, beneath the melting pool. In this work, we derive a phenomenological mean-field model and perform 3D phase-field simulations to investigate the directional grain growth and its underlying physical mechanisms. The effect of the intensity of driving force is simulated and systematically analyzed at the evolving growth front as well as various cross-sections perpendicular to the direction of the driving force. We found that although the directional growth significantly deviates from normal grain growth, it is still governed by a power law relation α tⁿ with an exponent n ~ 0.6–0.7. The exponent n exhibits a nontrivial dependence on the magnitude of the directional driving force, such that the lowest growth exponent is observed for intermediate driving forces. We elaborate that this can originate from the fact that the forces at grain boundary junctions evolve out of balance under the influence of the directional driving force. With increasing the driving forces, the growth exponent asymptotically approaches a value of n ≈ 0.63, imposed by the largest possible grain aspect ratio for given grain boundary energies. The current combined mean-field and phase-field framework pave the way for future exploration in broader contexts such as the evolution of complex additively manufactured microstructures.
KW - Additive manufacturing
KW - Phase-field simulation
KW - Grain growth
KW - Mean-field modelling
KW - Directional grain growth
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-593210
DO - https://doi.org/10.1016/j.mtla.2023.101989
SN - 2589-1529
VL - 33
SP - 1
EP - 10
PB - Elsevier
AN - OPUS4-59321
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Quackatz, Lukas
A1 - Griesche, Axel
A1 - Nietzke, Jonathan
A1 - Kannengießer, Thomas
T1 - In situ measurement of hydrogen concentration in steel using laser‑induced breakdown spectroscopy (LIBS)
N2 - The ISO 3690 standard “Determination of hydrogen content in arc weld metal” requires a thermal activation of the diffusible hydrogen in a piece of weld metal for the subsequent ex situ concentration measurement by carrier gas hot extraction CGHE or thermal desorption spectroscopy (TCD). Laser-induced breakdown spectroscopy (LIBS) offers a time and spatially resolved, almost non-destructive, in situ measurement of hydrogen at surfaces without sample preparation. We measured hydrogen in steels, which were charged either electrochemically or by high-pressure hydrogen gas, and compared the results. Further, the feasibility of quantitative hydrogen line scan measurements with LIBS was demonstrated by measuring hydrogen at water jet cut surfaces. The hydrogen concentrations measured with the help of LIBS were compared with CGHE measurements. It was observed that hydrogen can be reliably measured with LIBS for concentrations larger than 2 wt.-ppm. The maximum hydrogen concentration achieved using electrochemical charging was 85.1 ppm. The results show that LIBS is a promising technique for time- and spatially resolved measurements of hydrogen in steels.
T2 - IIW Annual Assembly 2023
CY - Singapore
KW - LIBS
KW - Hydrogen measurement
KW - Welding
KW - Stainless steel
KW - Diffusible hydrogen
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-593664
DO - https://doi.org/10.1007/s40194-023-01677-2
SP - 1
EP - 9
PB - Springer
AN - OPUS4-59366
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Roesch, Philipp
A1 - Schinnen, Andrea
A1 - Riedel, Maren
A1 - Sommerfeld, Thomas
A1 - Sawal, G.
A1 - Bandow, N.
A1 - Vogel, Christian
A1 - Kalbe, Ute
A1 - Simon, Franz-Georg
T1 - Investigation of pH-dependent extraction methods for PFAS in (fluoropolymer-based) consumer products: A comparative study between targeted and sum parameter analysis
N2 - Here, we report a comparative study of different sum parameter analysis methods for the extraction of per- and polyfluoroalkyl substances (PFAS) from manufactured consumer products, which can be measured by combustion ion chromatography (CIC). Therefore, a hydrolysis-based extraction method was further developed, which accounts for the addition of hydrolyzable covalently bound polyfluoroalkylated side-chain polymers (SFPs) to the extractable organic fluorine portion of the mass balance proposed as "hydrolyzable organically bound fluorine" (HOF). To test this hypothesis, the method was applied to 39 different consumer products containing fluoropolymers or monomeric PFAS taken from four different categories: outdoor textiles, paper packaging, carpeting, and permanent baking sheets. We also evaluated the method's efficiency by extracting four synthesized fluorotelomer polyacrylate reference compounds. The total fluorine (TF) and extractable organically bound fluorine (EOF) values were measured through CIC using established protocols. The TF values ranged from sub-ppb to %-levels, depending on the compound class. All samples showed results for hydrolyzed organofluorine (HOF) between 0.03 and 76.3 μg/g, while most EOF values were lower (