TY - JOUR
A1 - Wallis, Theophilus
A1 - Darvishi Kamachali, Reza
T1 - Linking atomistic and phase-field modeling of grain boundaries II: Incorporating atomistic potentials into free energy functional
N2 - The density-based phase-field model for grain boundary (GB) thermodynamics and kinetics has offered a broad range of applications in alloy and microstructure design. Originally, this model is based on a potential energy terms that is connected to the cohesive energy of a given substance. A more rigorous approach, however, is a full consideration of an interatomic potential over the possible range of distance and therefore density. In Manuscript I of this series, we developed and thoroughly analyzed the coarse-graining of atomistic GB structures. In this work (Manuscript II), we complete the coupling between atomic and mesoscale modeling of GBs by incorporating the full interatomic potentials into the density-based free energy functional. Using GB energies calculated from atomistic simulations, the coarse-graining approach and the atomistic-integrated density-based Gibbs free energy, we effectively evaluate the density gradient energy coefficient. We found that coupling the density-based model with atomistic potentials reveal physically-sound trends in the GB equilibrium properties. A universal equation was derived to describe the potential energy contribution to the GB energy and the gradient energy coefficient for BCC-Fe and -Mo GBs, similar to the universal equation for GB excess free volume presented in Manuscript I. The proposed approach provides a mesoscale density-based model rooted in atomic-scale characteristics for reliable predictions of GB properties.
KW - Density-based model
KW - Phase-field
KW - Grain boundary structure
KW - Grain boundary thermodynamics
PY - 2026
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-654904
DO - https://doi.org/10.1016/j.actamat.2025.121787
SN - 1359-6454
VL - 305
SP - 1
EP - 17
PB - Elsevier
AN - OPUS4-65490
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Wallis, Theophilus
A1 - Ratanaphan, Sutatch
A1 - Darvishi Kamachali, Reza
T1 - Linking atomistic and phase-field modeling of grain boundaries I: Coarse-graining atomistic structures
N2 - The longstanding gap between atomistic and mesoscale simulations partly lies in the absence of a direct, physically grounded connection between atomic structure and mesoscale fields. In this work, we present a robust coarse-graining approach to systematically investigate the connection between phase-field and atomistic simulations of grain boundaries (GBs). The atomistic structures of 408 GBs in BCC-Fe and -Mo were studies to compute and analyze a continuous atomic density field. We discover a fundamental relationship between the GB density---defined as the average atomic density at the GB plane---and the GB excess free volume, an integral property of the boundary. An almost perfect linear correlation between the GB atomic density and GB excess free volume is identified. We also show that the width of BCC GBs, when scaled by the lattice constant, approaches a universal constant value. The relationships among GB density, width, and energy are systematically examined for various GB planes, and the GB energy--density correlations are classified with respect to GB types. It turns out that the atomic planes forming the GB strongly influence both the GB density and excess volume. The current results establish a dependable framework to bridge across scales, enabling density-based phase-field modeling of GBs with atomistic fidelity and enhancing the predictive reliability of mesoscale simulations.
KW - Density-based model
KW - Grain boundary structure
KW - Grain boundary thermodynamic
KW - Atomistic simulations
PY - 2026
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-654872
DO - https://doi.org/10.1016/j.actamat.2025.121786
SN - 1359-6454
VL - 305
SP - 1
EP - 14
PB - Elsevier Inc.
AN - OPUS4-65487
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Pavlidis, Sotirios
A1 - Fischer, Eric W.
A1 - Opis-Basilio, Amanda
A1 - Bera, Ayan
A1 - Guilherme Buzanich, Ana
A1 - Álvarez-Sánchez, María
A1 - Wittek, Severin
A1 - Emmerling, Franziska
A1 - Ray, Kallol
A1 - Roemelt, Michael
A1 - Abbenseth, Josh
T1 - Ambiphilic Reactivity and Switchable Methyl Transfer at a T-Shaped Bi(NNN) Complex Enabled by a Redox-Active Pincer Ligand
N2 - We report the transition-metal-like reactivity of a geometrically constrained, ambiphilic bismuth(III) trisamide. Planarization of the Bi(III) center unlocks Bi−C bond formation when reacted with mild electrophiles (alkyl iodides and triflates) accompanied by two-electron oxidation of the utilized NNN pincer nligand. The preservation of the bismuth oxidation state is confirmed by single-crystal X-ray diffraction and X-ray absorption spectroscopy and corroborated by theoretical calculations. Sequential reduction of the oxidized ligand framework alters the reactivity of a generated Bi−Me unit, enabling controlled access to methyl cation, radical, and anion equivalents. The full [Bi(Me)(NNN)]+/•/− redox series was comprehensively characterized using NMR and EPR spectroscopy as well as spectro-electrochemistry. This work represents the first example of ligand-assisted, redox-neutral C−X bond splitting at bismuth, establishing a new paradigm for synthetic bismuth chemistry.
KW - Pincer ligand
KW - XAS
KW - Redox
PY - 2026
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-654948
DO - https://doi.org/10.1021/jacs.5c18955
SN - 0002-7863
VL - 148
IS - 2
SP - 2683
EP - 2692
PB - American Chemical Society (ACS)
AN - OPUS4-65494
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Yao, Xingyu
A1 - Antunes, Margarida M.
A1 - Guilherme Buzanich, Ana
A1 - Cabanelas, Pedro
A1 - Valente, Anabela A.
A1 - Pinna, Nicola
A1 - Russo, Patrícia A.
T1 - Formation, Phase Transition, Surface, and Catalytic Properties of Cubic ZrO 2 Nanocrystals
N2 - Pseudocapacitance-type transition metal oxides have been extensively investigated as anodes for lithium-ion batteries (LIBs). Currently, they are also gaining attention for sodium-ion batteries (SIBs) due to their low volume change and safety. However, their performance in sodium storage remains limited, primarily due to the larger Na+ ion radius. Here, for the first time, an iron niobate is reported with a columbite structure as a high-Performance sodium storage anode. The presence of iron triggers the loss of long-rangeorder through disorder of the FeO6 octahedra local structure, subsequentlyallowing reversible sodium storage in an amorphous phase. Simultaneously, the formation of short-range ordered zigzag-chain structures within the NbO6 planes creates a “skeleton” that offers abundant active sites forpseudocapacitive ion storage and enhanced ion diffusion pathways. These characteristics of FeNb2O6 make it an effective intercalation host, offering high capacity along with fast Na+ kinetics, as demonstrated through operando and ex situ characterizations. It leads to an applicable reversible capacity (>300 mAh g−1) with a favorable average voltage of ≈0.6 V and excellent rate capability (180.4 mAh g−1 at a current density of 2 A g−1). This study provides insights into the development of intrinsically active transition metal oxides for Na+-ion intercalation.
KW - XAS
KW - Sodium-ion Batteries
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-654955
DO - https://doi.org/10.1021/acs.chemmater.5c01483
SN - 0897-4756
VL - 37
IS - 21
SP - 8568
EP - 8580
PB - American Chemical Society (ACS)
AN - OPUS4-65495
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Liu, Yanchen
A1 - Guilherme Buzanich, Ana
A1 - Alippi, Paola
A1 - Montoro, Luciano A.
A1 - Lee, Kug‐Seung
A1 - Jeon, Taeyeol
A1 - Weißer, Kilian
A1 - Karlsen, Martin A.
A1 - Russo, Patrícia A.
A1 - Pinna, Nicola
T1 - FeNb 2 O 6 as a High‐Performance Anode for Sodium‐Ion Batteries Enabled by Structural Amorphization Coupled with NbO 6 Local Ordering
N2 - Pseudocapacitance-type transition metal oxides have been extensively investigated as anodes for lithium-ion batteries (LIBs). Currently, they are also gaining attention for sodium-ion batteries (SIBs) due to their low volume change and safety. However, their performance in sodium storage remains limited, primarily due to the larger Na+ ion radius. Here, for the first time, an iron niobate is reported with a columbite structure as a high-performance sodium storage anode. The presence of iron triggers the loss of long-range order through disorder of the FeO6 octahedra local structure, subsequently allowing reversible sodium storage in an amorphous phase. Simultaneously, the formation of short-range ordered zigzag-chain structures within the NbO6 planes creates a “skeleton” that offers abundant active sites for pseudocapacitive ion storage and enhanced ion diffusion pathways. These characteristics of FeNb2O6 make it an effective intercalation host, offering high capacity along with fast Na+ kinetics, as demonstrated through operando and ex situ characterizations. It leads to an applicable reversible capacity (>300 mAh g−1) with a favorable average voltage of ≈0.6 V and excellent rate capability (180.4 mAh g−1 at a current density of 2 A g−1). This study provides insights into the development of intrinsically active transition metal oxides for Na+-ion intercalation.
KW - SIB
KW - XAS
KW - Sodium-ion Batteries
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-654931
DO - https://doi.org/10.1002/adma.202504100
SN - 0935-9648
VL - 37
IS - 46
SP - 1
EP - 13
PB - Wiley
AN - OPUS4-65493
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Faustino, Leandro A.
A1 - de Angelis, Leonardo D.
A1 - de Melo, Eduardo C.
A1 - Farias, Giliandro
A1 - dos Santos, Egon C.
A1 - Miranda, Caetano R.
A1 - Buzanich, Ana G.
A1 - Torresi, Roberto M.
A1 - de Oliveira, Paulo F.M.
A1 - Córdoba de Torresi, Susana I.
T1 - Urea synthesis by Plasmon-Assisted N2 and CO2 co-electrolysis onto heterojunctions decorated with silver nanoparticles
N2 - The N2 + CO2 co-electrolysis to urea synthesis has become a promising alternative to the energy intensive traditional processes for urea production. However, there are still challenges in this approach, especially due to the competition with HER (Hydrogen Evolution Reaction) leading to low efficiency. Electrochemistry assisted by localized surface plasmon resonance (LSPR) using metal nanoparticles has been reported to enhance different electrochemical reactions. Here we report an electrochemical LSPR assisted urea synthesis using Ag nanoparticles (NPs) supported on BiVO4/BiFeO3 catalyst mechanochemically synthesized. The electrochemical experiments were performed under dark and upon plasmon excitation at the LSPR region of Ag NPs. Our results demonstrated that exciting in the LSPR range, urea yield rate and Faradic efficiency were considerably improved with reduced overpotential, 19.2 μmol h− 1 g− 1 and FE 24.4% at +0.1 V vs RHE compared to 9.6 μmol h− 1 g− 1 and FE 9.4% at − 0.2 V vs RHE under dark conditions. Further in situ FTIR-RAS experiments for mechanism investigation revealed the presence of N-H and C-N intermediates and the real effect of Ag plasmon excitation on HER and N2 + CO2 co-electrolysis. Theoretical calculations confirm the energy of the species involved in C-N coupling as well the role of the complex catalytic sites, which agrees with XAS measurements.
KW - Plasmon-assited
KW - XAS
KW - Urea
KW - Electrocatalysis
PY - 2025
DO - https://doi.org/10.1016/j.cej.2025.163072
SN - 1385-8947
VL - 513
SP - 1
EP - 13
PB - Elsevier B.V.
AN - OPUS4-65492
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Bustos, Jenna
A1 - Shohel, Mohammad
A1 - Guilherme Buzanich, Ana
A1 - Zakharov, Lev
A1 - Buils, Jordi
A1 - Segado‐Centellas, Mireia
A1 - Bo, Carles
A1 - Nyman, May
T1 - Technetium and Rhenium Auto‐reduction, Polymerization and Lability towards Group VII Polyoxometalate Chemistry
N2 - AbstractGroup VII Tc and Re have long been studied to develop both radiopharmaceuticals and technologies for nuclear materials management. Fundamental research has targeted understanding this periodic table crossroads where polyoxometalates meets metal‐metal bonded complexes. Here we have isolated green hygroscopic and metastable crystals of (ReVI,oct)2(ReVII,tet)2(OH)2(O)12⋅H2O (ReVI,VII‐green, tet=tetrahedral, oct=octahedral), determined by single‐crystal x‐ray diffraction. In addition to color, Re‐L1 X‐ray absorption near‐edge spectroscopy confirms the reduced oxidation state. ReVI,VII‐green provides the first demonstration of Re autoreduction, long‐observed for Mn and Tc. We also isolated and structurally characterized [Tc4O4(H2O)2(ReO4)14]2− (Tc4Re14) polyanion crystals that contain Tc(V) and Re(VII), consistent with greater stability of reduced Tc compared to reduced Re. Small angle X‐ray scattering of both compounds and prior‐reported polyanion [Tc4O4(H2O)2(TcO4)14]4− (Tc20) dissolved in acetonitrile indicated a qualitative lability order of oxo‐linkages of Re‐O−Re Re‐O−Tc Tc‐O−Tc, and lability of Tc20 was also probed by 99Tc nuclear magnetic resonance spectroscopy. Computation provided insight into 99Tc chemical shifts as well as lability. Based on both reducibility and solution phase dynamics of polynuclear compounds investigated here, Re is an imperfect surrogate for Tc, and further expansion of group VII polyoxometalate chemistry seems promising.
KW - XANES
KW - Polyoxometalate
KW - Technetium
PY - 2025
DO - https://doi.org/10.1002/chem.202404144
SN - 0947-6539
VL - 31
IS - 21
SP - 1
EP - 7
PB - Wiley-VCH Verl.
AN - OPUS4-65491
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Gugin, Nikita
A1 - Schwab, Alexander
A1 - Carraro, Francesco
A1 - Tavernaro, Isabella
A1 - Falkenhagen, Jana
A1 - Villajos, Jose
A1 - Falcaro, Paolo
A1 - Emmerling, Franziska
T1 - ZIF-8-based biocomposites via reactive extrusion: towards industrial-scale manufacturing
N2 - Mechanochemistry, a sustainable synthetic method that minimizes solvent use, has shown great promise in producing metal–organic framework (MOF)-based biocomposites through ball milling. While ball milling offers fast reaction times, biocompatible conditions, and access to previously unattainable biocomposites, it is a batch-type process typically limited to gram-scale production, which is insufficient to meet commercial capacity. We introduce a scalable approach for the continuous solid-state production of MOF-based biocomposites. Our study commences with model batch reactions to examine the encapsulation of various biomolecules into Zeolitic Imidazolate Framework-8 (ZIF-8) via hand mixing, establishing a foundation for upscaling. Subsequently, the process is scaled up using reactive extrusion, enabling continuous and reproducible kilogram-scale production of bovine serum albumin (BSA)@ZIF-8 with tunable protein loading. Furthermore, we achieve the one-step formation of shaped ZIF-8 extrudates encapsulating clinical therapeutic hyaluronic acid (HA). Upon release of HA from the composite, the molecular weight of HA is preserved, highlighting the industrial potential of reactive extrusion for the cost-effective and reliable manufacturing of biocomposites for drug-delivery applications.
KW - Mechanochemistry
KW - Extrusion
KW - Biocompoites
KW - MOFs
PY - 2026
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-654777
DO - https://doi.org/10.1039/D5TA08276E
SN - 2050-7496
SP - 1
EP - 14
PB - Royal Society of Chemistry
AN - OPUS4-65477
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Schusterbauer, Robert
A1 - Mrkwitschka, Paul
A1 - Sahre, Mario
A1 - Corrao, Elena
A1 - Zurutuza, Amaia
A1 - Doolin, Alexander
A1 - Pellegrino, Francesco
A1 - Radnik, Jörg
A1 - Donskyi, Ievgen S.
A1 - Hodoroaba, Vasile-Dan
T1 - Correlative Chemical Imaging to Reveal the Nature of Different Commercial Graphene Materials
N2 - Proper physicochemical characterization of advanced materials and complex industrial composites remains a significant challenge, particularly for nanomaterials, whose nanoscale dimensions and mostly complex chemistry challenge the analysis. In this work, we employed a correlative analytical approach that integrates atomic force microscopy (AFM), scanning electron microscopy (SEM) coupled with energy‐dispersive X‐ray spectroscopy (EDS), time‐of‐flight secondary ion mass spectrometry (ToF‐SIMS), Auger electron spectroscopy (AES), and Raman spectroscopy. This combination enables detailed chemical and structural characterization with sub‐micrometer spatial resolution. Three commercial graphene‐based materials of varying complexity were selected and investigated to test the analytical performance of this approach. Furthermore, one of the commercial graphene oxide samples was chemically functionalized via amination and fluorination. This allowed us to assess how surface modifications influence both the material properties and the limits of the applied analytical techniques.
KW - Analytical methods
KW - Commercial products
KW - Correlative analysis
KW - Graphene
KW - Surface imaging
PY - 2026
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-654765
DO - https://doi.org/10.1002/smtd.202502344
SN - 2366-9608
SP - 1
EP - 10
PB - Wiley VHC-Verlag
AN - OPUS4-65476
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Yu, Jialu
A1 - Oelze, Marcus
A1 - Schannor, Mathias
A1 - Nordstad, Simon
A1 - Vogl, Jochen
T1 - New Potential Haematite and Magnetite Reference Materials for Iron Isotope Measurements by Solution Nebulisation MC ‐ ICP ‐ MS and by In Situ ns ‐ LA ‐ MC ‐ ICP ‐ MS
N2 - Iron isotope ratios of haematite (Fe2O3) and magnetite (Fe3O4) provide insights into geochemical, environmental and planetary processes. In most studies, Fe isotope measurements are commonly performed using solution nebulisation multi-collector inductively coupled plasma-mass spectrometry (SN-MC-ICP-MS). Nanosecond laser ablation multi-collector inductively coupled plasma-mass spectrometry (ns-LA-MC-ICP-MS) requires minimal sample preparation, and provides spatially resolved variation of iron isotopes at micro-scale. However, homogeneous and matrix-matched haematite/magnetite reference materials are lacking for precise in situ isotopic measurement. The iron isotope ratios of two potential reference materials resembling natural haematite (HMIE-NP-B01) and natural magnetite (MAKP-NP-B01) were characterised. Size fractions between 5–63 μm of the powdered Fe oxides were milled to nanoparticles, freeze-dried, homogenised, and pressed into pellets. The materials were then evaluated using SN-MC-ICP-MS and LA-MC-ICP-MS. Sample powders of the two materials were measured by SN-MC-ICPMS after sample digestion and column separation and pressed pellets were analysed directly via ns-LA-MC-ICP-MS. In both cases iron isotope delta values are reported relative to the certified reference material IRMM-014, used as the bracketing standard (calibrator). The solution measurements yielded δ56Fe values of -0.25 ± 0.08‰ (N = 13, 2s) for HMIE-NP-B01, and -0.05 ± 0.09‰ (N = 12, 2s) for MAKP-NP-B01, considered as the preferred Fe isotope delta values. In situ isotopic analysis via ns-LA-MC-ICP-MS yielded δ56Fe values of -0.28 ± 0.28‰ (N = 19, 2s) for HMIE-NP-B01 and -0.12 ± 0.24‰ (N = 22, 2s) for MAKP-NP-B01, consistent with the solution Fe isotope data. The homogeneity of Fe isotopes of the pellets was evaluated by ns-LA-MC-ICP-MS analyses of three different positions to further confirm that both materials are isotopically homogeneous. Both materials can be considered as potential quality control and bracketing reference materials for Fe isotopic measurements by in situ ns-LA-MC-ICP-MS analysis.
KW - Laser ablation
KW - Fe isotope
KW - Fe-oxides
PY - 2026
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-654755
DO - https://doi.org/10.1111/ggr.70037
SN - 1639-4488
SP - 1
EP - 12
PB - John Wiley & Sons Ltd.
AN - OPUS4-65475
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Kleba-Ehrhardt, Rafael
A1 - Dávila, Josué
A1 - Geissler, Johann
A1 - Mohr, Gunther
A1 - Schmidt, Johannes
A1 - Heinze, Christoph
A1 - Hilgenberg, Kai
A1 - Gurlo, Aleksander
A1 - Karl, David
T1 - Influence of Haynes 282 powder oxidation on powder properties and component quality in laser powder bed fusion
N2 - Reuse of powder in powder bed additive manufacturing is a common practice to enhance sustainability and reduce costs. However, the reusability of metal powder is limited by the oxidation of the powders. Even in a protective atmosphere, each build job leads to gradual oxidation of the powder, which has led to concerns about its impact on powder and part properties. Consequently, strict confidence intervals for oxygen content in nickel-based alloy feedstocks are enforced in the industry. Despite this, there is currently a lack of in-depth studies investigating the specific influence of oxygen on Haynes 282, a widely used nickel-based alloy. This study examines artificially aged Haynes 282 powder batches with oxygen content of 160 ppm, 330 ppm, 1050 ppm, and 1420 ppm. Detailed powder characterization was performed, including morphology, chemical composition, particle size, flowability, and packing behavior. Components were fabricated via PBF-LB/M to evaluate density and mechanical properties. The results showed that higher oxidation levels improved powder flowability and packing density. However, in manufactured parts, irregular melt tracks and increased surface roughness were observed, which could easily be removed by post-processing. No significant differences in density or mechanical properties at room temperature, such as tensile strength and elongation, were found. These findings indicate that H282 powder potentially remains suitable for reuse, even when the batches exhibit increased oxygen content, supporting discussions on revising the existing oxygen content confidence intervals for nickel-based alloys. The results highlight the potential for optimizing recycling strategies and reducing material waste in additive manufacturing processes.
KW - Additive manufacturing
KW - Powder bed fusion
KW - Powder characterization
KW - Powder oxidation
KW - Powder recycling
PY - 2026
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-654545
DO - https://doi.org/10.1016/j.addma.2025.105050
SN - 2214-8604
VL - 116
SP - 1
EP - 16
PB - Elsevier B.V.
AN - OPUS4-65454
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Hübner, Martin
A1 - Dittmann, Florian
A1 - Kromm, Arne
A1 - Varfolomeev, Igor
A1 - Kannengiesser, Thomas
T1 - Enhancement of the fatigue strength by application of a low transformation temperature (LTT) welding consumable
N2 - Low transformation temperature (LTT) welding consumables offer a possibility to enhance fatigue strength in welded components without post-treatment. By lowering the martensite start temperature (MS), the volume expansion during transformation near ambient temperature reduces welding related tensile residual stresses in fatigue-critical areas. To evaluate this effect, longitudinal stiffeners were used, a LTT and conventional filler serve as welding consumable, also high frequency mechanical impact (HFMI) treatment was carried out. Three single-pass and six additional-pass sample series were investigated on residual stress and fatigue strength. The additional welds were applied in fatigue crack critical areas with different weld shapes, achieved by varying welding parameters. Mechanical tests on reference samples evaluated the properties of the diluted LTT welds. Although reduced toughness was observed, no fatigue cracks occurred in LTT single-pass weld roots. The fatigue strength at two million cycles increased from 81 MPa to 121 MPa compared to conventional welds, while HFMI reached 146 MPa. With an additional LTT weld pass the results varied from 138 MPa to 196 MPa, depending to the shape and residual stress state. The results show that LTT fillers effectively enhance fatigue performance, and that weld geometry and parameter selection are as critical as the chemical composition for maximizing the LTT effect.
CY - Genua, Italy
DA - 22.06.2025
KW - Low transformation temperature (LTT)
KW - Martensite start temperature
KW - Residual stress
KW - Longitudenal stiffener
KW - Fatigue strength
PY - 2026
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-654520
DO - https://doi.org/10.1007/s40194-026-02356-8
SP - 1
EP - 14
PB - Springer Nature
AN - OPUS4-65452
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Gladrow, K.
A1 - Unkovskiy, A.
A1 - Yassine, J.
A1 - Gaertner, N.
A1 - Topolniak, Ievgeniia
A1 - Henning, N.
A1 - Schmidt, F.
T1 - The effect of nitrogen atmosphere during post-curing on cytotoxicity, polishability, flexural strength, and surface hardness of 3D-printed denture bases: an in vitro study
N2 - 3D printing is increasingly utilized in dentistry. Compared to traditional manufacturing methods, 3D printing provides advantages such as faster production times and the ability to create complex structures. Although biocompatible materials are available, many are only suitable for temporary applications. This study examines the impact of nitrogen-aided post-processing on the mechanical properties and cytotoxicity of 3D-printed denture bases, with the hypothesis that this post-processing will enhance material properties and decrease cytotoxicity. Specimens were fabricated from V-print dentbase (Voco GmbH, Cuxhaven, Germany) and post-processed either in nitrogen or air. The specimens were categorized into aged and non-aged groups. For comparison, specimens made from milled material were utilized. Vickers hardness, flexural strength, polishability, cytotoxicity, and degree of conversion were then assessed for all groups. The data were analyzed using a one-way ANOVA and Tukey HSD test for multiple comparisons, with a significance threshold of p < 0.05. Post-curing with nitrogen improved the degree of conversion, surface hardness, and biocompatibility of 3D-printed dental materials, confirming reduced cytotoxicity without impairing mechanical properties. Nitrogen increased polymerization and decreased harmful monomers, making it ideal for clinical applications in contact with the oral mucosa. Optimizing post-processing steps, such as curing in nitrogen, enhances biocompatibility while maintaining strength and hardness, ensuring better patient care in dental applications.
KW - Biocompatibility
KW - V-Print
KW - Cytotoxicity
KW - Nitrogen
KW - Dentistry
PY - 2026
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-654504
DO - https://doi.org/10.1007/s10856-026-07006-5
SN - 1573-4838
VL - 37
IS - 1
SP - 1
EP - 13
PB - Springer Science and Business Media LLC
AN - OPUS4-65450
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Adhami, Forogh
A1 - Safavi, Maliheh
A1 - Ehsani, Maryam
A1 - Ardestani, Sussan K.
A1 - Emmerling, Franziska
A1 - Simyari, Farzaneh
T1 - Synthesis, crystal structure, and cytotoxic activity of novel cyclic systems in [1,2,4]thiadiazolo[2,3-a]pyridine benzamide derivatives and their copper(ii) complexes
N2 - Three N-(pyridine-2-ylcarbamothioyl)benzamide derivatives were synthesized by the reaction of potassium thiocyanate, benzoyl chloride, and 2-amino pyridine derivatives in one pot. The obtained derivatives were oxidized using copper(II) chloride. During the oxidation, two hydrogen atoms were removed, cyclization of the derivatives occurred, and finally, three new N-(2H-[1,2,4]thiadiazolo[2,3-a]pyridine-2-ylidene)benzamide derivatives were produced. Coordination of these three new derivative ligands to the copper(II) ion resulted in the formation of three new complexes: dichlorobis(N-(2H-[1,2,4]thiadiazolo[2,3-a]pyridine-2-ylidene)benzamide)copper(II), dichlorobis(N-(7-methyl-2H-[1,2,4]thiadiazolo[2,3-a]pyridine-2ylidene)benzamide)copper(II), and dichlorobis(N-(5-methyl-2H-[1,2,4]thiadiazolo[2,3-a]pyridine-2-ylidene)benzamide)copper(II). All the synthesized products were characterized by IR, 1H NMR, and 13C NMR spectroscopies. Crystal structures of the obtained N-(pyridine-2-ylcarbamothioyl)benzamide derivatives, N-(2H-[1,2,4]thiadiazolo[2,3-a]pyridine-2-ylidene)benzamide derivatives, and complexes were determined using X-ray single-crystal diffraction; the positions of atoms, bond lengths, bond angles, and dihedral angles were also determined. In all complexes, the coordination of two large monodentate ligands and two chloride anions to the copper(II) ion resulted in the formation of a stable planar geometry around the central ion. Three N-(pyridine-2-ylcarbamothioyl)benzamide derivatives, three N-(2H-[1,2,4]thiadiazolo[2,3-a]pyridine-2-ylidene)benzamide derivatives, and three complexes were evaluated for their cytotoxicity against five human cancer cell lines (breast cancer cell line MDA-MB-231, neuroblastoma cell line SK-N-MC, prostate adenocarcinoma cell line LNCap, nasopharyngeal epidermoid carcinoma cell line KB, and liver cancer cell line HEPG-2) using an in vitro analysis. The N-(pyridine-2-ylcarbamothioyl)benzamide derivatives showed no cytotoxic activity, whereas the N-(2H-[1,2,4]thiadiazolo[2,3-a]pyridine-2-ylidene)benzamide derivatives and their complexes showed significant cytotoxicity, especially against MDA-MB-231 and LNCap cell lines. The complexes demonstrated smaller IC50 values than N-(2H-[1,2,4]thiadiazolo[2,3-a]pyridine-2-ylidene)benzamide derivatives.
KW - Copper complexes
PY - 2014
DO - https://doi.org/10.1039/c3dt52905c
SN - 1477-9226
VL - 43
IS - 21
SP - 7945
EP - 7957
PB - Royal Society of Chemistry (RSC)
AN - OPUS4-65449
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Völker, Tobias
A1 - Blaschke, Jil
A1 - Lierenfeld, Matthias
A1 - Wilsch, Gerd
A1 - Dalichow, Dirk
A1 - Truffer, Philipp
A1 - Kruschwitz, Sabine
T1 - Aktuelle Anwendungsbeispiele der laserinduzierten Plasmaspektroskopie in der Bauwerksdiagnostik
N2 - Die Zustandsbewertung und Instandhaltung von Betonbauwerken erfordert zuverlässige und effiziente Analysemethoden, um komplexe Schadensmechanismen frühzeitig erkennen und fundiert bewerten zu können. Klassische chemisch-analytische Verfahren in der Betonanalytik liefern zwar präzise Ergebnisse bezogen auf die Probenmasse, sind jedoch mit erheblichem Laboraufwand verbunden, in ihrer räumlichen Auflösung durch die Probenahme begrenzt und hinsichtlich der Ergebnisinterpretation mit Unsicherheiten behaftet. Die laserinduzierte Plasmaspektroskopie (LIBS) bietet hier ein hohes Potenzial als schnelle, bildgebende und weitgehend zerstörungsarme Alternative. In den vergangenen Jahren hat sich das Verfahren zunehmend in der Bauwerksdiagnostik etabliert und wird heute für ein breites Spektrum an Anwendungen eingesetzt. Der vorliegende Beitrag gibt einen Überblick über den aktuellen Stand der LIBS-Anwendungen und zeigt anhand ausgewählter Praxisbeispiele die Leistungsfähigkeit, den Mehrwert, die Grenzen und die zukünftigen Entwicklungsperspektiven des Verfahrens auf.
KW - LIBS
KW - Spektroskopie
KW - Chemische Analyse
KW - Infrastruktur
KW - Bauwerksdiagnostik
PY - 2026
DO - https://doi.org/10.1002/best.70078
SN - 1437-1006
SP - 1
EP - 13
AN - OPUS4-65445
LA - deu
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Mantouvalou, I.
A1 - Bauer, L.J.
A1 - Truong, V.-B.
A1 - Wagener, Y.
A1 - Förste, F.
A1 - Maruchenko, O.
A1 - Werner, S.
A1 - Lizzi, F.
A1 - Wieder, Frank
A1 - Wolff, T.
A1 - Kanngießer, B.
A1 - Zaslansky, P.
T1 - Quantitative micro-XRF combined with X-ray imaging reveals correlations between Zn concentration and dentin tubule porosity across entire teeth
N2 - Bony materials are biogenic composites of protein fibers and mineral that create hierarchical structures. In the case of teeth, dentin is the main component and similar to other bones, it contains porosity at multiple length scales. It is traversed by micron-sized hollow channels known as dentinal tubules, essential for temperature and pain sensation. Tubule density and thus porosity vary throughout the macroscopic three-dimensional (3D) structure, with porosity increasing toward the pulp. The different densities in teeth are easily revealed non-destructively in 3D by X-ray imaging using computer tomography (CT). Yet elemental composition analysis is more difficult to obtain from within the centimeter-sized heterogeneous bulk material. We describe an approach of merging CT measurements of healthy, intact bovine teeth with micro-X-ray fluorescence (micro-XRF) images of matching serially sectioned slices. Through the combination of multi-resolution quantitative CT measurements with elemental mass fraction derivation, gradients in density and element distributions such as calcium (Ca), phosphorus (P), and zinc (Zn) are revealed across entire teeth in 3D. While the main constituents (Ca and P) are homogeneously distributed in the matrix, Zn concentration increases significantly and exponentially toward the pulp. We find an inverse association between dentin tissue density and Zn concentration localizing this element in or around tubules. Our data serve as a quantitative reference for density and Zn mass fractions in healthy, neither carious nor hypermineralized dentin, as a basis for comparisons across species in health and disease states.
KW - Dentin density
KW - Micro-computer tomography
KW - Quantitative micro-X-ray fluorescence
KW - Tubule porosity
KW - Zn distribution
PY - 2026
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-654215
DO - https://doi.org/10.1002/VIW.20250173
SN - 2688-3988
SN - 2688-268X
SP - 1
EP - 14
PB - Wiley Online Library
AN - OPUS4-65421
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Liu, Cong
A1 - Hellemans, Simon
A1 - Kinjo, Yukihiro
A1 - Mikhailova, Alina A
A1 - Aumont, Cédric
A1 - Weng, Yi-Ming
A1 - Buček, Aleš
A1 - Husnik, Filip
A1 - Šobotník, Jan
A1 - Harrison, Mark C
A1 - McMahon, Dino P
A1 - Bourguignon, Thomas
T1 - Recurrent horizontal gene transfers across diverse termite genomes
N2 - Horizontal gene transfer (HGT), the transmission of genetic material across species, is an important innovation source in prokaryotes. In contrast, its significance is unclear in many eukaryotes, including insects. Here, we used high-quality genomes of 45 termites and two cockroaches to investigate HGTs from non-metazoan organisms across blattodean genomes. We identified 289 genes and 2,494 pseudogenes classified into 168 orthologous groups originating from an estimated 281 HGT events. Wolbachia represented the primary HGT source, while termite gut bacteria and the cockroach endosymbiont Blattabacterium did not contribute meaningfully to HGTs. Most horizontally acquired genes descended from recent and species-specific HGTs, experienced frequent duplications and pseudogenizations, and accumulated substitutions faster than synonymous sites of native protein-coding genes. Genes frequently transferred horizontally to termite genomes included mobile genetic elements and genetic information processing genes. Our results indicate that termites continuously acquired genes through HGT, and that most horizontally acquired genes are specific to restricted lineages. Overall, genes acquired by HGT by termites and cockroaches seemed generally non-functional and bound to be lost.
KW - Phylogenomics
KW - Isoptera
KW - Comparative genomics
PY - 2026
DO - https://doi.org/10.1093/evolut/qpag003
SN - 0014-3820
SP - 1
EP - 14
PB - Oxford University Press (OUP)
AN - OPUS4-65418
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Pomorska Gawel, A.
A1 - Dąbkowska, M.
A1 - Kosior, D.
A1 - Batys, P.
A1 - Szatanik, A.
A1 - Witt, Julia
A1 - Özcan Sandikcioglu, Özlem
A1 - Michna, A.
T1 - Multiscale insights into fibroblast growth factor 23 adsorption on polyelectrolyte layers: From molecular properties to biointerfaces
N2 - Fibroblast growth factor 23 (FGF23) is a clinically significant protein hormone regulating phosphate and vitamin D metabolism, with elevated levels linked to chronic kidney disease, cardiovascular disorders, and impaired bone homeostasis. Despite its relevance as both a biomarker and a therapeutic target, its interactions with functional biomaterials remain poorly understood. In this work, we investigate the FGF23 adsorption on polyelectrolyte layers using a combination of theoretical modeling and experimental methods. Theoretical calculations provided insights into the protein's charge distribution and diffusion properties, while experimental measurements quantified its hydrodynamic diameter, electrophoretic mobility, and electrokinetic charge over a broad range of pH values. Microscale thermophoresis revealed quantitative binding affinities of FGF23 to hyaluronic acid, chitosan, and poly(diallyldimethylammonium chloride). Adsorption studies on mica, silica, and polyelectrolyte mono- and bilayers showed that FGF23 binds to both negatively and positively charged substrates, with binding affinities following: hyaluronic acid < poly(diallyldimethylammonium chloride) < chitosan. Desorption occurred more readily from negatively charged surfaces (mica, silica and hyaluronic acid), indicating weaker interactions compared to positively charged layers. These results reveal fundamental aspects of protein –polyelectrolyte interactions and highlight the reversible binding capacity of FGF23 to negatively charged surfaces. Such adsorption behavior provides a physicochemical framework for considering FGF23-polyelectrolyte systems in the design of therapeutic carriers and bioactive materials. However, any direct relevance to wound healing, chronic kidney disease, or cardiovascular disorders remains prospective and requires dedicated biological validation.
KW - Molecular dynamics
KW - Streaming potential measurements
KW - Adsorption
KW - Stability
KW - Binding affinity
PY - 2026
DO - https://doi.org/10.1016/j.ijbiomac.2026.150221
SN - 0141-8130
VL - 341
IS - Part 1
SP - 1
EP - 14
PB - Elsevier B.V.
AN - OPUS4-65415
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Robens-Radermacher, Annika
A1 - Schmidt, Wolfram
A1 - Unger, Jörg F.
A1 - Mezhov, Alexander
T1 - Characterization of temperature influence on the structural build-up of 3D printed concrete
N2 - 3D concrete printing technologies enhance design freedom while reducing material use and costs without the need for formwork. Thereby, structural build-up is the key property governing stability and early strength evolution of 3D printed concrete after placement. Structural build-up is influenced by various factors, i.e., environmental conditions such as temperature. In this paper, the influence of ambient temperature on structural build-up was investigated through experimental and numerical approaches. Three experimental setups (small amplitude oscillatory shear, constant shear rate, and small amplitude oscillatory extensional tests) were applied to materials of increasing complexity under varying temperature conditions. A common modeling framework based on the maturity approach was developed to capture the time and temperature evolution. A stochastic framework was employed to estimate the unknown model parameters using experimental data. Experimental results demonstrate a significant temperature influence on structural build-up, consistent across all test setups and materials. The calibrated models successfully predict the structural build-up under different temperatures, confirming the applicability of the maturity approach to rheological parameters at early age. Furthermore, the stochastic parameter estimation allows a correct quantification of the uncertainties, enhancing model reliability. The comparison of two time evolution formulations indicates that a model with an additional linear stage is required for predicting the increase of the storage moduli (
$${G}{\prime}$$
G
′
,
$${E}{\prime}$$
E
′
). In conclusion, the study demonstrates that temperature significantly affects the structural build-up, and that the proposed modeling approach allows to predict this behavior.
KW - Structural build-up
KW - 3D concrete printing
KW - Rheology
KW - Temperature influence
KW - Modeling
KW - Green intelligent building
PY - 2026
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-654138
DO - https://doi.org/10.1617/s11527-025-02931-3
SN - 1359-5997
VL - 59
IS - 2
SP - 1
EP - 20
PB - Springer Science and Business Media LLC
AN - OPUS4-65413
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Rahner, E.
A1 - Thiele, T.
A1 - Voss, Heike
A1 - Müller, F.A.
A1 - Bonse, Jörn
A1 - Gräf, S.
T1 - Objective, high-throughput regularity quantification of laser-induced periodic surface structures (LIPSS)
N2 - The growing demand for precise surface functionalization through laser-generated periodic surface structures highlights the necessity for efficient, reproducible, and objective evaluation methods to evaluate their structural regularity. We introduce ReguΛarity (v.1.2.7), a freely available, Python-based software with a graphical user interface for the automated, quantitative assessment of the regularity of laser-induced periodic surfaces structures (LIPSS), obtained from optical microscopy, SEM, or AFM. The software integrates image segmentation, one- and two-dimensional Fourier analyses, and gradient-based orientation determination to facilitate a comprehensive regularity analysis of grating-like (quasi-)periodic surface patterns with spatial periods Λ. This is achieved through the proposed regularity tuple R, composed of five key parameters: the normalized spread of the spatial period RΛ,2D (from 2D-FT), the normalized variation of the most frequent spatial period RΛ (from 1D-FT), the Gini coefficient G, the Dispersion of the LIPSS Orientation Angle δθ (DLOA), and the mean phase deviation . To demonstrate its applicability, we compare ideal sinusoidal patterns with SEM images obtained from LIPSS on stainless steel (AISI 316L) and aluminum alloy (AlMg5) surfaces, confirming the software’s ability to objectively distinguish between varying levels of structural regularity. ReguΛarity facilitates high-throughput analysis and data-driven process optimization in surface engineering and laser materials processing.
KW - Laser-induced periodic surface structures (LIPSS)
KW - Image processing
KW - Regularity quantification
KW - Fourier analysis
KW - Structural homogeneity
PY - 2026
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-654070
DO - https://doi.org/10.1016/j.apsusc.2026.165919
SN - 0169-4332
VL - 726
SP - 1
EP - 12
PB - Elsevier B.V.
AN - OPUS4-65407
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Avila Calderon, Luis Alexander
A1 - Schriever, Sina
A1 - Hang, Y.
A1 - Olbricht, Jürgen
A1 - Portella, P. D.
A1 - Skrotzki, Birgit
T1 - Creep reference data of single-crystal Ni-based superalloy CMSX-6
N2 - The article presents creep data for the single-crystal, [001]-oriented nickel-based superalloy CMSX-6, tested at a temperature of 980 °C under initial stresses ranging from 140 MPa to 230 MPa. The constant-load creep experiments were performed in accordance with DIN EN ISO 204:2019–4 standard within an ISO 17025 accredited laboratory. A total of 12 datasets are included, each of which includes the percentage creep extension as a function of time. The data series and associated metadata were systematically documented using a data schema specifically developed for creep data of single-crystal Ni-based superalloys. This dataset serves multiple purposes: it can be used to compare with one's own creep test results on similar materials, to verify testing setups (e.g., by replicating tests on the same or comparable materials), to calibrate and validate creep models, and to support alloy development efforts.
KW - NFDI MatWerk
KW - Referenzdaten
KW - Kriechen
KW - CMSX-6
KW - Digitalisierung
PY - 2026
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-654056
DO - https://doi.org/10.1016/j.dib.2025.112436
VL - 65
SP - 1
EP - 11
PB - Elsevier
AN - OPUS4-65405
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Onyenso, Gabriel
A1 - AI-Zawity, Jiwar
A1 - Farahbakhsh, Nastaran
A1 - Schardt, Annika
A1 - Yadigarli, Aydan
A1 - Vakamulla Raghu, Swathi Naidu
A1 - Engelhard, Carsten
A1 - Müller, Mareike
A1 - Schönherr, Holger
A1 - Killian, Manuela S.
T1 - Novel Ag-modified zirconia nanomaterials with antibacterial activity
N2 - The outcome of an implant procedure largely depends on the implant's surface properties. Biomaterials are now designed to have surfaces with multifunctionality, such as favorable tissue integration and the ability to combat bacterial adhesion and colonization. Herein, we report on a simple approach to improve the antibacterial properties of zirconia nanotubes (ZrNTs) coatings by decorating with silver nanoparticles (AgNP), achieved through electrochemical anodization of a zirconium–silver alloy (Zr–Ag). The AgNPs were shown to partially consist of Ag2O, potentially enhancing the availability of Ag+ ions for antibacterial activity. The modified ZrNTs were characterized using SEM, EDS, ToF-SIMS, and XPS to determine their structural morphology and chemical composition, and were further subjected to antibacterial testing. The silver and zirconium ion release behavior was monitored via ICP-MS. ZrNTs decorated with AgNP exhibit strong antimicrobial activity (>99% bacterial killing) against both S. aureus and E. coli. Antimicrobial tests indicate that the antibacterial activity against the Gram-positive pathogen S. aureus was improved by a factor of 100 compared to unmodified ZrNTs, while unmodified ZrNTs already showed a comparable reduction of viable Gram-negative E. coli. This strategy illustrates a straightforward and effective modification that optimizes the interface between the host environment and the biomaterial surface to meet the very important criteria of biocompatibility and active antibacterial response.
KW - Mass Spectrometry
KW - Nanoparticles
KW - Advanced Materials
KW - ICP-MS
KW - Antimicrobial material
KW - ToF-SIMS
PY - 2026
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-653990
DO - https://doi.org/10.1039/d5ra07099f
SN - 2046-2069
VL - 16
IS - 3
SP - 2286
EP - 2297
PB - Royal Society of Chemistry (RSC)
AN - OPUS4-65399
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Cairns, Warren R. L.
A1 - Braysher, Emma C.
A1 - Butler, Owen T.
A1 - Cavoura, Olga
A1 - Davidson, Christine M.
A1 - Todoli Torro, Jose Luis
A1 - von der Au, Marcus
T1 - Atomic spectrometry update: review of advances in environmental analysis
N2 - This review covers advances in the analysis of air, water, plants, soils and geological materials by a range of atomic spectrometric techniques including atomic emission, absorption, fluorescence and mass spectrometry.
KW - Environmental analysis
KW - Review
KW - Trend Article
PY - 2026
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-653977
DO - https://doi.org/10.1039/D5JA90058A
SN - 0267-9477
VL - 41
IS - 1
SP - 16
EP - 70
PB - Royal Society of Chemistry (RSC)
AN - OPUS4-65397
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Stolar, Tomislav
A1 - Bayram, Dilara
A1 - May, Anastasia
A1 - Sundermann, Remie
A1 - Prinz, Carsten
A1 - Meyer, Klas
A1 - Myxa, Anett
A1 - Falkenhagen, Jana
A1 - Emmerling, Franziska
T1 - Selective mechanochemical conversion of post-consumer polyethylene terephthalate waste into hcp and fcu UiO-66 metal–organic frameworks
N2 - Single-use plastics strongly contribute to plastic pollution, and less than 10% of plastic waste is recycled globally. Here, we present a selective mechanochemical protocol for converting post-consumer polyethylene terephthalate (PET) transparent bottles and coloured textile waste into the porous metal–organic framework (MOF) UiO-66 materials. We used time-resolved in situ (TRIS) synchrotron powder X-ray diffraction and Raman spectroscopy to monitor the depolymerization of PET during ball milling. To convert disodium terephthalate to UiO-66, we developed base and base-free synthetic routes that lead to fcu and hcp UiO-66 phases, respectively, including the first ever synthesis of hcp UiO-66 by mechanochemistry. Our results demonstrate the potential of mechanochemistry to selectively access fcu and hcp UiO-66 phases using post-consumer PET waste.
KW - Mechanochemistry
PY - 2026
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-653958
DO - https://doi.org/10.1039/D4MR00126E
SN - 2976-8683
SP - 1
EP - 8
PB - Royal Society of Chemistry (RSC)
AN - OPUS4-65395
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Kanaris, Orestis
A1 - Sobisch, Lydia-Yasmin
A1 - Gödt, Annett
A1 - Schreiber, Frank
A1 - Nordholt, Niclas
T1 - Consequences of benzalkonium chloride tolerance for selection dynamics and de novo resistance evolution driven by antibiotics
N2 - Biocides are used in large amounts in industrial, medical, and domestic settings. Benzalkonium chloride (BAC) is a commonly used biocide, for which previous research revealed that Escherichia coli can rapidly adapt to tolerate BAC-disinfection, with consequences for antibiotic susceptibility. However, the consequences of BAC tolerance for selection dynamics and resistance evolution to antibiotics remain unknown. Here, we investigated the effect of BAC tolerance in E. coli on its response upon challenge with different antibiotics. Competition assays showed that subinhibitory concentrations of ciprofloxacin—but not ampicillin, colistin and gentamicin—select for the BAC-tolerant strain over the BAC-sensitive ancestor at a minimal selective concentration of 0.0013–0.0022 µg/mL. In contrast, the BAC-sensitive ancestor was more likely to evolve resistance to ciprofloxacin, colistin and gentamicin than the BAC-tolerant strain when adapted to higher concentrations of antibiotics in a serial transfer laboratory evolution experiment. The observed difference in the evolvability of resistance to ciprofloxacin was partly explained by an epistatic interaction between the mutations conferring BAC tolerance and a knockout mutation in ompF encoding for the outer membrane porin F. Taken together, these findings suggest that BAC tolerance can be stabilized in environments containing low concentrations of ciprofloxacin, while it also constrains evolutionary pathways towards antibiotic resistance.
KW - AMR
KW - Resistance evolution
KW - Resistance selection
PY - 2026
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-653842
DO - https://doi.org/10.1038/s44259-025-00170-8
SN - 2731-8745
VL - 4
IS - 1
SP - 1
EP - 13
PB - Springer Science and Business Media LLC
AN - OPUS4-65384
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - You, Yi
A1 - Xue, Boyang
A1 - Riedel, Jens
T1 - Enhancement of LIBS plasma in air with organic solvent vapors
N2 - Laser-induced breakdown spectroscopy (LIBS) offers versatile, field-deployable elemental analysis; however, compact, high-repetition-rate nanosecond laser systems typically face constraints in power consumption and size, often compromising emission intensity and thus analytical performance. We demonstrate a significant improvement in LIBS signals through the controlled introduction of common organic solvent vapors into a sheath gas, with a diode-pumped solid-state laser (1064 nm, 2–28 kHz repetition rate, 450–600-μJ pulse energy). Optical and acoustic diagnostics reveal up to ca. 40-fold enhancement of the N II emission line at 567 nm when ambient air serves as the analyte. Maximal enhancement occurs at intermediate repetition rates of ca. 15 kHz, particularly at pulse energies approaching the optical breakdown threshold; this observation suggests a viable strategy for operating LIBS at lower pulse energies and higher repetition rates. Enhancement effects scale jointly with both vapor pressure and ionization energy of the organic species, with acetone and toluene markedly outperforming methanol and isopropanol. These findings provide a rational foundation for significantly improving the analytical performance of portable LIBS instruments without exceeding platform-specific constraints.
KW - LIBS
PY - 2026
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-653758
DO - https://doi.org/10.1016/j.sab.2025.107309
SN - 0584-8547
VL - 236
SP - 1
EP - 6
PB - Elsevier B.V.
AN - OPUS4-65375
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Weidner, Steffen
A1 - Meyer, Andreas
A1 - Falkenhagen, Jana
A1 - Kricheldorf, Hans R.
T1 - Cyclic polyglycolide by means of metal acetylacetonates
N2 - Glycolide was polymerized in bulk at 160 °C using various metal acetylacetonates as catalysts. Zirconium acetylacetonate was particularly efficient, enabling rapid polymerization even at 130 °C. The formation of cyclic poly(glycolic acid) (PGA), most likely via a ring-expansion polymerization (REP) mechanism, was proven by matrix-assisted laser desorption/ionization time-of-flight (MALDI-TOF) mass spectrometry. Depending on the polymerization conditions, the formation of even-numbered cycles was favored to varying degrees. Number-average molecular weights (Mn) in the range of 2000–3500 g mol−1 were achieved with dispersities below 2.0. Wide-angle X-ray scattering (WAXS) powder patterns showed that the crystal lattice was the same as that of known linear PGAs, regardless of the Mn values. These patterns enabled a comparison of crystallinities with values derived from DSC measurements.
KW - MALDI-TOF MS
KW - Polyglycolide
KW - Crystallization
KW - Small-angle X-ray scattering
KW - Cyclization
PY - 2026
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-653731
DO - https://doi.org/10.1039/d5ra07961f
SN - 2046-2069
VL - 16
IS - 2
SP - 1757
EP - 1764
PB - Royal Society of Chemistry (RSC)
AN - OPUS4-65373
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Pittrich, Tim
A1 - Jansen, Daniel
A1 - Weise, Frank
A1 - Stelzner, Ludwig
A1 - Dehn, Frank
T1 - Thermal decomposition in blended cement systems and its effect on fire-induced concrete spalling: Insights from XRD and TGA
N2 - Blended cements are gaining increasing popularity due to their lower CO2-footprint in comparison to ordinary Portland cement (OPC). However, this growing use raises the potential risk of buildings made with blended cement concrete being exposed to fire, which can lead to heavy damages caused by explosive concrete spalling. It has already been shown that the cement type strongly influences the fire-induced concrete spalling and the thermally induced moisture transport, however, to understand the mechanisms behind these findings the thermal decomposition behavior of the cementitious matrix must be investigated more systematically. Therefore, the phase content of three blended cement pastes (CEM II/A-LL, CEM III/A and CEM II/B-Q) was studied in comparison with a Portland cement paste (CEM I) after temperature exposure to 20 ◦C, 105 ◦C, 300 ◦C and 500 ◦C. Clear differences in the initial phase composition and their dehydration behavior between the individual cement types were recognized. In conclusion, blended cements showed lower amounts of AFt and AFm phases and additionally lower amounts of portlandite and C-(A)-S-H were found in CEM III/A and CEM II/B-Q pastes. The results suggest that higher AFt and AFm contents in CEM I, which are associated with greater water release at relatively low temperatures may ultimately reduce the spalling risk. Furthermore, C-(A)-S-H in CEM III/A and CEM II/B-Q showed increased thermal stability and large amounts of non-hydrated phases were found in every blended cement paste. Both of those aspects might contribute to thermomechanical spalling and the overall increased spalling susceptibility observed in blended cement concrete.
KW - Fire concrete spalling
KW - High temperatures
KW - Blended cements
KW - Dehydration
KW - XRD
KW - TGA
PY - 2026
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-653698
DO - https://doi.org/10.1016/j.cscm.2026.e05784
SN - 2214-5095
VL - 24
SP - 1
EP - 14
PB - Elsevier Ltd.
AN - OPUS4-65369
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Oskoei, Párástu
A1 - Afonso, Rúben
A1 - Bastos, Verónica
A1 - Nogueira, João
A1 - Keller, Lisa-Marie
A1 - Andresen, Elina
A1 - Saleh, Maysoon I.
A1 - Rühle, Bastian
A1 - Resch-Genger, Ute
A1 - Daniel-da-Silva, Ana L.
A1 - Oliveira, Helena
T1 - Upconversion Nanoparticles with Mesoporous Silica Coatings for Doxorubicin Targeted Delivery to Melanoma Cells
N2 - Melanoma is one of the most aggressive skin cancers and requires innovative therapeutic strategies to overcome the limitations of conventional therapies. In this work, upconversion nanoparticles coated with mesoporous silica and functionalized with folic acid (UCNP@mSiO2-FA) were developed as a targeted nanocarrier system for the delivery of doxorubicin (DOX). The UCNPs were synthesized via thermal decomposition, coated with mesoporous silica shells, and functionalized with folic acid (FA) to enable receptor-mediated targeting. DOX was then loaded into the mesoporous silica coating by adsorption, yielding UCNP@mSiO2-FA-DOX. The different UCNPs were characterized for size, composition, colloidal stability, and loading and release of DOX. This comprehensive physicochemical characterization confirmed a high DOX loading efficiency and a slightly increased drug release under acidic conditions, mimicking the tumour microenvironment. In vitro assays using four melanoma cell lines (A375, B16-F10, MNT-1, and SK-MEL-28) revealed an excellent biocompatibility of UCNP@mSiO2-FA and a significantly higher cytotoxicity of UCNP@mSiO2-FA-DOX compared to unloaded UCNPs, in a dose-dependent manner. Cell cycle analysis demonstrated G2/M phase arrest after treatment with UCNP@mSiO2-FA-DOX, confirming its antiproliferative effect. Overall, UCNP@mSiO2-FA-DOX represents a promising nanoplatform for targeted melanoma therapy, combining active tumour targeting and enhanced anticancer efficacy.
KW - Fluorescence
KW - Synthesis
KW - Nano
KW - Particle
KW - Silica
KW - Cell
KW - Uptake
KW - Drug
KW - Characterization
KW - DOX
KW - Imaging
KW - Toxicity
KW - Release
KW - pH
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-653596
DO - https://doi.org/10.3390/molecules31010074
SN - 1420-3049
VL - 31
IS - 1
SP - 1
EP - 18
PB - MDPI AG
AN - OPUS4-65359
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Dak, Gaurav
A1 - Barik, Birendra Kumar
A1 - Chaurasia, Prashant Kumar
A1 - Gottschalk, Götz-Friedrich
A1 - Shahane, Akshay Manoj
A1 - Goecke, Sven-F.
A1 - De, Amitava
T1 - Probing dimensional consistency of deposited structures during out-of-position wire arc directed energy deposition
N2 - Wire arc directed energy deposition (DED-Arc) using a gas metal arc (GMA) welding power source is cited as DED-GMA that fabricates a part by layer-by-layer deposition of molten wire droplets along horizontal and out-of-position inclined trajectories. For the out-of-position trajectories, a smooth deposition of material is impaired by the gravitational force on the molten wire droplets, resulting in uneven and inconsistent deposit profiles. We present here a detailed experimental investigation to realize the effect of the out-of-position inclinations on the quality of the deposited structure for DED-GMA with a steel and an aluminium filler wire. The evolution of the droplet transfer and melt pool during the out-of-position inclined deposition is probed through high-speed videography at different baseplate angles and commonly used scanning strategies. An analytical model is proposed further based on force equilibrium analysis for a prior estimation of the out-of-position inclined deposit profile, which can help design dimensionally consistent and structurally sound parts using DED-GMA.
KW - DED-Arc
KW - Additive manufacturing
KW - Out-of-position deposition
KW - High-speed videography
KW - Force
PY - 2025
DO - https://doi.org/10.1007/s40194-025-02291-0
SN - 0043-2288
SP - 1
EP - 20
PB - Springer Science and Business Media LLC
AN - OPUS4-65350
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Belli, Renan
A1 - Hartmann, Sabine
A1 - Lubauer, Julia
A1 - Pereira, Raíssa Monteiro
A1 - Hurle, Katrin
A1 - Yin, Ling
A1 - Mieller, Björn
A1 - Lohbauer, Ulrich
T1 - Improving the chipping resistance of pre-sintered zirconia white-bodies
N2 - Objectives: The high occurrence of fractures, cracking and chipping of zirconia pre-sintered blanks and blocks during machining decreases their yield and can transfer lifetime-limiting racks to the final sintered restoration. This study has the objective of characterizing the mechanical and fracture properties of two zirconia compositions while varying temperature and time of pre-sintering, in order to assess the space for possible improvement.
Methods: We selected two typical granular powders with 3 mol% (3YSZ, Zpex®, Tosoh) or 5 mol% (5YSZ, Zpex Smile®, Tosoh) yttria-stabilized zirconia and two pre-sintered commercial analogs (IPS e.max® ZirCAD MO, Ivoclar and Katana™ STML, Kuraray). The debinding and pre-sintering stages of the experimental powders were characterized using thermal analyses (differential scanning calorimetry and thermogravimetry), and the crystal phase composition was quantified using X-ray diffraction (XRD). Physical and mechanical properties such as density, hardness, flexural modulus, biaxial flexural strength and fracture toughness were measured for two pre-sintering temperatures (1000 ◦C, 1100 ◦C) and increasing holding times at those temperatures (2 h, 4 h, 6 h). The chipping resistance for those conditions was quantified using the edge chipping test using a Vickers diamond indenter.
Results: Thermal analyses revealed that both powders show comparable debinding behavior and contained approx. 3.8 mass % organic binder, which burns-out completely between 300 and 400 ◦C. The crystallographic phase changes occurring during the 2–6 h at 1000 ◦C and 1100 ◦C was not detectable in the DSC signal, but quantifiable by XRD. Namely, a major content of monoclinic phase in both powders transforms completely into the two tetragonal phases, starting below 1000 ◦C and concluding above 1100 ◦C. All physical and mechanical properties increased with holding time for both temperatures, though more steeply for pre-sintering at 1100◦C. Edge chipping resistance response was well aligned with other fracture properties, with a more marked improvement for 3YSZ pre-sintered at 1100 ◦C. For all properties, the 3YSZ zirconia showed statistically-higher values for the same temperature-time conditions, in agreement with the values obtained for the commercial materials as well.
Significance: The results demonstrate the weakness of pre-sintered zirconia products concerning fracture properties, but also the potential for improvement as related to type of zirconia and pre-sintering conditions. This study outlines the use of a set of mechanical tests that can characterize chipping resistance and guide future research engaging in optimizing the machining resistance of pre-sintered zirconia products.
KW - Zirconia
KW - Fracture
KW - White body
KW - Dental materials
KW - Pre-sintering
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-653457
DO - https://doi.org/10.1016/j.dental.2025.12.012
SN - 0109-5641
SP - 1
EP - 12
PB - Elsevier Inc.
AN - OPUS4-65345
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Chakraborty, Gouri
A1 - Das, Prasenjit
A1 - Bhattacharya, Biswajit
A1 - Prinz, Carsten
A1 - Emmerling, Franziska
A1 - Thomas, Arne
T1 - Room-temperature superprotonic conductivity in COOH-functionalized multicomponent covalent organic frameworks
N2 - In solid materials, the development of hydrogen bonding (H-bonding) networks within pores is crucial for efficient proton conductance. In this study, a chemically stable carboxylic acid-functionalized, quinoline-linked 2D microporous covalent organic framework (COF) (Qy-COOH) was synthesized using the Doebner multicomponent reaction (MCR) and compared to a similar framework lacking the –COOH functionality (Qy-H), prepared via an MC Domino reaction. The proton conductivity of the –COOH-functionalized MCR-COF was significantly enhanced, reaching 10−2 S cm−1, attributed to strong H-bonding interactions between water molecules and the dangling –COOH groups within the COF pores. In contrast, the analogous Qy-H framework exhibited a much lower proton conductivity of 10−5 S cm−1, while an imine-based COF showed only 10−6 S cm−1. This work represents the first demonstration of a general strategy to achieve efficient proton conduction in a class of layered 2D –COOH-functionalized COFs, offering superprotonic conductivity without requiring additives at room temperature. The MCR-COF design approach provides a promising pathway for developing highly stable and high-performance proton-conducting materials.
KW - Multicomponebt
KW - COF
KW - Proton Conductivity
KW - Superprotonic
PY - 2026
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-653526
DO - https://doi.org/10.1039/D5SC06953J
SN - 2041-6520
SP - 1
EP - 9
PB - Royal Society of Chemistry (RSC)
AN - OPUS4-65352
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Schönsee, Eric
A1 - Hüsken, Götz
A1 - Kocherla, Amarteja
A1 - Strangfeld, Christoph
T1 - Influences of Surface Properties on the Reflection Intensity - Towards in Situ Monitoring During Early Age Hydration of CEM I
N2 - Interlayer bonding in 3D concrete printing is influenced by the hydration progress and surface moisture of the previously printed layer. For effective quality control, continuous in situ monitoring of interlayer surface properties is required. This study investigated reflection intensity as a method for in situ measurements during the hydration of CEM I mixtures with varying retarder contents. Additional factors influencing the reflection intensity are also examined. Two laser line scanners with different wavelengths were used to track hydration over 72 h. Vicat tests and isothermal calorimetry served as reference methods. Across all the mixtures, the reflection intensity exhibited a repeatable pattern with five different stages. A sharp increase in intensity during the third stage was consistent with the acceleration period of hydration. These findings suggest that reflection intensity measurements could serve as a promising tool for evaluating interlayer bonding in 3D concrete printing.
KW - In situ hydration monitoring
KW - Cement
KW - Optical methods
KW - Reflection intensity
KW - Additive manufacturing
KW - Isothermal calorimetry
PY - 2026
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-653430
DO - https://doi.org/10.1007/s10921-025-01326-2
SN - 1573-4862
VL - 45
IS - 1
SP - 1
EP - 17
PB - Springer Nature
AN - OPUS4-65343
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Dalgic, Mete‐Sungur
A1 - Kumar, Sourabh
A1 - Weidner, Steffen
T1 - Quantitative Analysis of Polymers by MALDI‐TOF Mass Spectrometry: Correlation Between Signal Intensity and Arm Number
N2 - The signal intensities of linear and star‐shaped poly(L‐lactides) (PLA) and poly (ethylene oxides) (PEO) were compared to determine the influence of the number of arms on the ionization in matrix‐assisted laser desorption/ionization time‐of‐flight (MALDI‐TOF) mass spectrometry. In this study, a variety of blends were prepared and investigated, including binary and ternary combinations of linear and star‐shaped polymers with similar molecular masses. The focus was on examining their intensity ratios. In equimolar binary PLA blends, polymer stars were observed to exhibit higher intensities than their linear counterparts. This result was supported by experiments with equimolar ternary PLA blends, which clearly demonstrated an intensity dependence on the number of polymer arms. It was observed that four‐arm PLA exhibited higher intensities than three‐arm PLA. A similar trend was observed in investigations involving acetylated polymer end groups, suggesting that differences in ionization are primarily influenced by polymer architecture rather than end groups. In order to validate this assumption, the binding energies for [polymer‐K] + adduct ions utilizing the most stable geometry obtained from GOAT (Global Optimizer Algorithm) were calculated, revealing that star‐shaped lower mass oligomers have slightly higher binding energies.
KW - MALDI-TOF MS
KW - Starlike polymers
KW - Quantification
KW - Topology
PY - 2026
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-653401
DO - https://doi.org/10.1002/jms.70023
SN - 1076-5174
VL - 61
IS - 1
SP - 1
EP - 12
PB - John Wiley & Sons Ltd.
AN - OPUS4-65340
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Putzu, Mara
A1 - Wiesner, Yosri
A1 - Weimann, Christiane
A1 - Hodoroaba, Vasile-Dan
A1 - Muniategui Lorenzo, Soledad
A1 - Fernández-Gonzáles, Verónica
A1 - Booth, Andy M.
A1 - Igartua, Amaia
A1 - Benismail, Nizar
A1 - Coïc, Laureen
A1 - Chivas-Joly, Carine
A1 - Fenoglio, Ivana
A1 - Rossi, Andrea Mario
A1 - Giovannozzi, Andrea Mario
A1 - Altmann, Korinna
T1 - Optimization of tablet processing as a reference material for microplastic detection methods
N2 - Reference materials (RMs) are essential and highly demanded tools for the development and validation of methods for microplastic (MP) quantification in complex matrices, to ensure comparable and harmonized approaches aligned with EU commission criteria for monitoring MPs (e.g., Drinking Water Directive and Urban Wastewater Treatment Directive). This study investigates different approaches for optimizing the production of polypropylene (PP) RMs in the form of water-soluble tablets, which were carefully evaluated for their homogeneity and stability according to ISO Guide 30, ISO 33401, and ISO 33405. PP particles (1–100 μm) were produced by cryomilling and embedded in a lactose/PEG matrix, then pressed into tablets (18 µg theoretical PP mass). The production process was optimized by varying (i) the size distribution of the matrix components and (ii) the mixer instrument. The materials obtained were characterized by thermogravimetric analysis to assess the homogeneity distribution of MPs with respect to PP mass in the individual tablets and their stability over a 4-month period. The most promising approach, with a homogenous mass of 19 μg (standard deviation of 4 μg), relative standard deviation of 19%, was further investigated for homogeneity by comparison with thermo-analytical mass determination methods, such as TED-GC/MS (thermal extraction desorption-gas chromatography/mass spectrometry) and Py-GC/MS (pyrolysis-gas chromatography-mass spectrometry), and for number-based characterization using micro-Raman spectroscopy. Material characterization was also examined using laser diffraction, scanning electron microscopy, and ATR-FTIR. Based on the results, the optimized processing protocol yields a PP RM suitable for quality control and method performance studies supporting standardization.
KW - Microplastics
KW - TED-GC/MS
KW - Reference materials
KW - Polypropylene
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-653290
DO - https://doi.org/10.1007/s00216-025-06271-7
SN - 1618-2642
SP - 1
EP - 14
PB - Springer Science and Business Media LLC
AN - OPUS4-65329
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Haugen, Øyvind P.
A1 - Polanco-Garriz, Itziar
A1 - Alcolea-Rodriguez, Victor
A1 - Portela, Raquel
A1 - Bæra, Rita
A1 - Sadeghiankaffash, Hamed
A1 - Hildebrandt, Jana
A1 - Ciornii, Dmitri
A1 - Altmann, Korinna
A1 - Barbero, Francesco
A1 - Fenoglio, Ivana
A1 - Reinosa, Julián J.
A1 - Fernández, José F.
A1 - Katsumiti, Alberto
A1 - Camassa, Laura M.A.
A1 - Wallin, Håkan
A1 - Zienolddiny-Narui, Shan
A1 - Afanou, Anani K.
T1 - Activation of Toll-like receptor 2 reveals microbial contamination beyond endotoxins on micro- and nanoplastics
N2 - Current literature on health hazards associated with micro- and nanoplastics (MNPs) is largely influenced by studies that insufficiently account for potential microbial contamination of their test materials. This may lead to misinterpretation of outcomes, as the test materials may be incorrectly considered pristine MNPs. The present study screened eight MNP test materials for microbial contaminants using Toll-like receptor (TLR) reporter cells for TLR2 and TLR4 and the commonly used Limulus amebocyte lysate (LAL) assay. Our results show that MNPs testing negative for endotoxins, based on the absence of TLR4 activation and negative LAL results, may still contain microbial ligands that selectively activate TLR2. Moreover, five of the eight MNP test materials contained microbial ligands capable of activating TLR2 and/or TLR4. Compared to the LAL assay, TLR4-based screening effectively detected endotoxin contamination. Overall, we found that the TLR reporter cell assay provides broader coverage than the LAL assay in detecting microbial ligands, which appear to be highly prevalent in MNP test materials.
KW - Nanoplastics
KW - Microplastics
KW - Microbial contamination
PY - 2026
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-653286
DO - https://doi.org/10.1016/j.tiv.2025.106190
SN - 0887-2333
VL - 112
SP - 1
EP - 8
PB - Elsevier Ltd.
AN - OPUS4-65328
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Sano, Silvia Di
A1 - Costa, Giancarlo
A1 - Giordano, Pier Francesco
A1 - Pregnolato, Maria
A1 - Limongelli, Maria Pina
T1 - Multi‐risk assessment for bridges: The application of the Italian Guidelines
N2 - Bridges are essential elements in the built environment since they underpin the functioning of transportation systems. Nevertheless, they are vulnerable due to aggressive environment, demand beyond the design level, and other contingencies such as extreme events. The management of bridges represents a significant challenge for improving transport performance and ensure the safety of users. In Italy, bridge management is addressed by the recent “Guidelines for risk classification and management, safety evaluation and monitoring of existing bridges” which were issued by the Italian Ministry for Public Work in 2020. The guidelines propose an operational approach with distinctive characteristics: (i) risk‐based, i.e., based on the typical parameters of hazard, vulnerability, and exposure; (ii) multi‐level, i.e., they include six assessment levels (0‐5) of increasing complexity; and (iii) multi‐risk, i.e., they assess structural/foundation, seismic, hydrological and landslide risk. This paper presents a general overview of the 2020 Italian Guidelines and their application to a selected case study. Lessons from the application to the case study are drafted and possible criticalities highlighted.
KW - Bridge management
KW - Infrastructures
KW - Italian guidelines
KW - Structural safety
KW - Risk assessment
KW - Risk classification
PY - 2023
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-653392
DO - https://doi.org/10.1002/cepa.2046
SN - 2509-7075
VL - 6
IS - 5
SP - 772
EP - 779
PB - Wiley
CY - Berlin
AN - OPUS4-65339
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Chahal, Shweta
A1 - Xiao, Boyu
A1 - Grant, Jessica
A1 - Furniss, David
A1 - Farries, Mark
A1 - Phang, Sendy
A1 - Neate, Nigel
A1 - Robertson, Lorelei
A1 - Roe, Martin
A1 - Barney, Emma
A1 - Seddon, Angela B.
T1 - Ce3+-doped chalcogenide glass fibre for laser beyond 4 microns wavelength: Glass material-integrity
N2 - The 4-μm wavelength barrier encountered for mid-infrared fibre lasing based on heavy metal fluoride glasses has been overcome. We reported, in 2021, the first continuous wave, mid-infrared fibre laser operating beyond 4 μm at room temperature in a fibre with a Ce3+-doped selenide-chalcogenide core. Defects, such as crystallites in the core glass, could cause unwanted light-scattering, diminishing fibre laser efficiency. It is important to identify such optical loss mechanisms and eradicate them. Here, we report on investigating the material nano-structure of a chalcogenide-glass lasing fibre which exhibits 7 mW laser power output; the fibre has a Ce3+-doped core (8.5 μm diameter), concentrically surrounded by an inner- and outer-cladding, where both cladding-glasses are nominally the same composition. High resolution transmission electron microscopy and electron diffraction show that the core, inner-cladding and outer-cladding of the lasing fibre are internally nano-crystallite-free and amorphous. However, the external outer surface of the last 10 m of fibre drawn, of the total 100 m, contains monoclinic GeSe2 crystallites adjacent to discrete, small (<0.5 mm) wrinkled defects. The final length of fibre is drawn from the final part of the glass fibreoptic preform. The glass preform has as its outermost component an extruded chalcogenide glass tube. It is the last part of the tube which spends the longest time at high temperature inside the extruder during tube manufacture, encouraging heterogeneous nucleation at the tube outer-surface in contact with the extruder. These heterogeneous nuclei subsequently nucleate crystal growth during fibre-drawing in the outermost fibre surface.
KW - Optical glass
KW - Photonics
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-653371
DO - https://doi.org/10.1016/j.optmat.2025.117219
SN - 0925-3467
VL - 166
SP - 1
EP - 14
PB - Elsevier
CY - Amsterdam
AN - OPUS4-65337
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Nitz, Phillip D. H.
A1 - Rosaz, Paul
A1 - Kreysina, Daniela
A1 - Kasprzak, Dawid
A1 - Qi, Naiyu
A1 - Baller, Johannes
A1 - Graeber, Gustav
T1 - Water-in-Salt Electrolytes Embedded in Polyacrylamide Hydrogels: A First Step toward Deformable Sodium-Ion Batteries
N2 - The development of flexible, safe, and sustainable Energy storage systems is critical for next-generation technologies, including wearable electronics, biomedical devices, and soft robotics. In this work, we provide a systematic investigation of sodium perchlorate-based water-in-salt (WIS) electrolytes embedded in polyacrylamide (PAM) hydrogels as a potential platform for deformable sodium-ion batteries or aqueous supercapacitors. Using Raman spectroscopy, we track the transition from free to intermediate water states with increasing salt concentration, identifying the onset of the WIS regime around 10 mol kg−1. Electrochemical measurements reveal that both the aqueous and hydrogel-based electrolytes exhibit a broadened electrochemical stability window (ESW) at higher salt concentrations, reaching up to 2.75 V. Impedance spectroscopy shows that while aqueous electrolytes achieve higher peak conductivity (156 mS cm−1), hydrogel-based electrolytes offer greater stability across a range of concentrations. This observation was supported by cyclic voltammetry, as it showed enhanced electrochemical stability of the PAM hydrogel compared to the aqueous electrolyte. This comprehensive and systematic study demonstrates that highly concentrated WIS electrolytes can be successfullyembedded into PAM hydrogels, while preserving good electrochemical stability and ionic conductivity. This could make them a promising foundation for all-hydrogel, sodium-based energy storage devices that are safe, sustainable, and mechanically compliant.
KW - Battery
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-653156
DO - https://doi.org/10.1021/acsapm.5c03031
SN - 2637-6105
SP - 1
EP - 8
PB - American Chemical Society (ACS)
AN - OPUS4-65315
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Stohl, Leonie
A1 - Tonon, Chiara
A1 - Cook, Jake
A1 - Gorbushina, Anna
A1 - Dehn, Frank
A1 - von Werder, Julia
T1 - Understanding bioreceptivity of concrete: realistic and accelerated weathering experiments with model subaerial biofilms
N2 - Vertical greening systems are a promising solution to the increasing demand for urban green spaces, improving environmental quality and addressing biodiversity loss. This study facilitates the development microbially greened algal biofilm facades, which offer a low maintenance vertical green space. The study focuses on concrete as a widely used building material and explores how physical surface characteristics impact its bioreceptive properties. Concrete samples, produced from the same mix but differing in surface structure, were subjected to a laboratory weathering experiment to assess their bioreceptivity. A novel inoculation method was employed, involving a single initial inoculation with either alga ( Jaagichlorella sp.) alone, or a model biofilm consisting of a combination of the alga ( Jaagichlorella sp.) with a fungus ( Knufia petricola). The samples underwent four months of weathering in a dynamic laboratory setup irrigated with deionized water to observe subaerial biofilm attachment and growth. The formation of subaerial biofilms was monitored with high resolution surface imaging, colorimetric measurements and Imaging Pulse Amplitude Modulated Fluorometry (Imaging PAM-F), with Imaging PAM-F proving the most effective. Statistical analysis revealed that by impacting surface pH value and water retention capability, surface structures significantly influence microbial growth and that the concrete’s bioreceptivity can be influenced through thoughtful design of the materials surface. The inoculation of algae combined with a fungus facilitated the formation of a stable subaerial biofilm, enabling algae to colonize a surface structure that it could not colonize alone. This finding highlights the importance of modelling synergistic interactions present in natural biofilms.
KW - Bioreceptivity
KW - Concrete
KW - Biofilm
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-653105
DO - https://doi.org/10.1617/s11527-025-02864-x
SN - 1359-5997
VL - 59
IS - 2
SP - 1
EP - 18
PB - Springer Science and Business Media LLC
AN - OPUS4-65310
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Martin, Nathan
A1 - Nota, Kevin
A1 - Aumont, Cédric
A1 - Marchand, Grégor
A1 - Marguerie, Dominique
T1 - Anthropic and climatic impacts on biodiversity during the Mesolithic-Neolithic transition in North-Western France
N2 - The Neolithic transition, which began around 10,000 BCE in Western Asia, has significantly impacted the biodiversity dynamics and the hunter-gatherer communities due to the beginning of anthropization and climate fluctuations during this period. Neolithic farmers gradually spread to the Atlantic margins of North-Western Europe during the 6th millennium BCE, arriving later than in other parts of the continent.
This systematic review aims to shed a light on the landscape transformations and shifts in the ecological niches that occurred during neolithization in the Armorican Massif, driven by human and climatic influences, through an interdisciplinary examination of palynology, archaeology and palaeogenomics. This Massif is situated in North-Western France which hosted well established Mesolithic and Neolithic societies that have been extensively studied. However, recent research has called into question the coexistence of these two cultural groups in this area, necessitating a reevaluation of the literature in light of these new findings.
This systematic review coupled with an analysis of pollen sequences reveals spatial and temporal heterogeneity in vegetation composition, openness, and the gradual introduction of domesticated taxa into the region. This analysis should be seen in the context of the delayed adoption of the agro-pastoral lifestyle in North-Western Europe, attributed to the different climatic conditions encountered, which required time for these societies and their domesticated taxa to adapt.
Further investigation is needed to clearly differentiate between anthropogenic and climatic impacts and paleoclimatic reconstruction based on pollen sequences looks promising for addressing this issue.
KW - Armorican massif
KW - Neolithic transition
KW - Anthropization
KW - Climate
KW - Palynology
KW - Biodiversity dynamics
PY - 2024
DO - https://doi.org/10.1016/j.quaint.2024.11.004
SN - 1040-6182
VL - 714
SP - 1
EP - 19
PB - Elsevier
CY - Amsterdam
AN - OPUS4-65313
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Cosimi, Andrea
A1 - Stöbener, Daniel D.
A1 - Nickl, Philip
A1 - Schusterbauer, Robert
A1 - Donskyi, Ievgen
A1 - Weinhart, Marie
T1 - Interfacial nanoengineering of hydrogel surfaces via block copolymer self-assembly
N2 - Synthetic polymer hydrogels are valuable matrices for biotransformations, drug delivery, and soft implants. While the bulk properties of hydrogels depend on chemical composition and network structure, the critical role of interfacial features is often underestimated. This work presents a nanoscale modification of the gel−water interface using polymer brushes via a straightforward “grafting-to” strategy, offering an alternative to more cumbersome “grafting-from” approaches. Functional block copolymers with photoreactive anchor blocks are successfully self-assembled and UV-immobilized on hydrogel substrates despite their low solid content (<30 wt %). This versatile technique works on both bulk- and surface-immobilized hydrogels, demonstrated on poly(hydroxypropyl acrylate), poly(N-isopropylacrylamide), and alginate gels, allowing precise control over grafting density. X-ray photoelectron spectroscopy and time-of-flight secondary ion mass spectrometry revealed a homogeneous bilayered architecture. By “brushing-up”, the hydrogels’ interface can be tailored to enhance protein adsorption, improve cell adhesion, or impair the diffusive uptake of small molecules into the bulk gels. This effective interfacial nanoengineering method is broadly applicable for enhancing hydrogel performance across a wide range of applications.
KW - Brushing-up
KW - Benzophenone
KW - LCTS-type polymer
KW - Poly(glycidyl ether) (PGE)
KW - Fibroblast adhesion
KW - XPS
KW - ToF-SIMS
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-652966
DO - https://doi.org/10.1021/acsami.4c18632
SN - 1944-8244
VL - 17
IS - 6
SP - 10073
EP - 10086
PB - American Chemical Society (ACS)
CY - Washington, DC
AN - OPUS4-65296
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Valet, Svenja
A1 - Bohlmann, Tatjana
A1 - Ebell, Gino
A1 - Burkert, Andreas
T1 - pH sensitive gel pads for the visualization of anodes and cathodes on zinc
N2 - Zinc and zinc alloys have many applications. Zinc corrosion takes place in the atmosphere and is assumed to follow the water drop theory (a macroelement), in which the anode is at the centre of the drop and is surrounded by a cathode. This paper is the first to use gel electrolytes made of agar to visualize anodic and cathodic areas on zinc samples in order to examine the water drop theory. For that, agar gels were added with universal pH indicators, as the anode and cathode exhibit different pH values. In this paper, different amounts of pH indicators were tested to determine whether the indicator influences the potential, the impedance, phase shift, corrosion current and potential and corrosion layer resistance.
KW - Corrosion
KW - Zinc
KW - Gel electrolyte
PY - 2026
DO - https://doi.org/10.1016/j.electacta.2026.148134
SN - 0013-4686
VL - 551
SP - 1
EP - 21
PB - Elsevier Ltd.
AN - OPUS4-65308
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Wagner, Jan
A1 - Häfner, P.
A1 - Reimann, H.-A.
A1 - Schartel, Bernhard
T1 - Valorization of Natural Fibers in Flame Retarded Poly(lactic acid)
N2 - Extensive research has explored natural fiber reinforced composites, typically focusing on a single fiber within a polymer matrix. Comprehensive comparisons across different natural fibers in the same polymer, which are critical for industrial material selection, remain limited. This work presents a systematic comparison of untreated hemp, flax, and sisal fibers incorporated at varying fiber lengths and loadings into flame retarded poly(lactic acid) (PLA). Fire behavior, thermal, and mechanical responses were investigated through thermogravimetry, UL 94, and cone calorimetry, alongside crystallinity, molecular weight (MW), and microstructural analysis. Fiber incorporation reduced the peak heat release rate (pHRR) by up to 30 % in 30 wt% hemp, attributed to protective layer formation, but increased flammability in UL 94. A phytic acid melamine salt combined with expandable graphite and 20 wt% hemp produced incomplete combustion at 50 kW/m², raising char residue from 4 to 24 wt% and halving pHRR. Petrella plots revealed that fiber addition alone lowered fire load and flashover propensity as effectively as phytic acid melamine; with hemp, phytic acid and expendable graphite, the flashover hazard and fire load were halved. MW was preserved while crystallinity and modulus increased with fiber content. Hemp delivered the most consistent reinforcement, while optimized processing enabled flax and sisal to improve stiffness. Performance gains were strongest when individual fibers were dispersed via optimized processing, preventing bundle fracture under load. Plasma modification of the fibers improved the maximum tensile strength in the composites. A practical guide is provided for valorizing natural fibers in PLA composites, demonstrating routes to bio-based, compostable materials with improved fire safety and mechanical performance suitable for industrial processing.
KW - Poly(lactic acid)
KW - Hemp
KW - Sisal
KW - Flax
KW - Flame retardant
KW - Phytic acid
PY - 2026
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-653038
DO - https://doi.org/10.1016/j.mtcomm.2025.114575
SN - 2352-4928
VL - 50
SP - 1
EP - 41
PB - Elsevier Ltd.
AN - OPUS4-65303
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Smerechuk, Anastasiia
A1 - Guilherme Buzanich, Ana
A1 - Büchner, Bernd
A1 - Wurmehl, Sabine
A1 - Morrow, Ryan
T1 - Synthesis and properties of Sr2La2NiW2O12, a new S = 1 triangular lattice magnet
N2 - Magnetic materials featuring triangular arrangements of spins are frequently investigated as platforms hosting magnetic frustration. Hexagonal perovskites with ordered vacancies serve as excellent candidates for two-dimensional triangular magnetism due to the considerable separation of the magnetic planes. In this work, the effects of chemical pressure on the ferromagnetic ground state of Ba2La2NiW2O12 by substitution of Ba2+ with Sr2+ to produce Sr2La2NiW2O12 are investigated. The two materials are characterized using synchrotron-based XRD, XANES and EXAFS in addition to magnetometry in order to correlate their crystal structures and magnetic properties. Both materials form in space group R 3, yet as a result of the enhanced bending of key bond angles due to the effects of chemical pressure, the T C value of the magnetic Ni2+ sublattice is reduced from ∼6 K in Ba2La2NiW2O12 to 4 K in Sr2La2NiW2O12.
KW - XRD
KW - Magnetic materials
KW - EXAFS
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-652982
DO - https://doi.org/10.1107/S2052520624007091
SN - 2052-5206
VL - 80
IS - 5
SP - 467
EP - 473
PB - International Union of Crystallography (IUCr)
AN - OPUS4-65298
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Schiaroli, Alice
A1 - Camplese, Davide
A1 - Scarponi, Giordano Emrys
A1 - Eberwein, Robert
A1 - Ustolin, Federico
A1 - Cozzani, Valerio
T1 - Modelling the behaviour of cryogenic liquid hydrogen tanks engulfed in fire
N2 - The safe use of liquid hydrogen as a clean fuel requires a deep understanding of its behaviour in accident scenarios. Among other scenarios, the possible involvement of cryogenic liquid hydrogen tanks in engulfing fires is of particular concern, due to the potentially severe consequences. This study proposes a computational fluid dynamic model suitable to simulate the behaviour of liquid hydrogen tanks equipped with multi-layer insulation (MLI) engulfed in fire. An original approach has been developed to assess the progressive degradation of the performance of the thermal insulation, that is crucial in determining the tank pressurization and failure. The model is validated against full-scale experimental fire tests. The outcomes of the model reproduce the progressive pressurization and the opening time of the pressure relief valve within 2 % error. The results demonstrate the importance of accounting for the dynamic evolution of the progressive degradation of the insulation when evaluating tank pressurization, and they highlight the limitations of empirical, simplified state-of-the-art approaches. Furthermore, the analysis evidences the key role of the fire temperature in governing tank response, stressing the need for proper fire characterization to support reliable modelling of fire scenarios and the development of emergency planning and mitigation strategies ensuring the structural integrity of liquid hydrogen tanks during fire attacks.
KW - LH2
KW - LNG
KW - Fire
KW - Tank
PY - 2026
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-652920
DO - https://doi.org/10.1016/j.psep.2025.108319
SN - 0957-5820
VL - 206
SP - 1
EP - 14
PB - Elsevier Ltd.
AN - OPUS4-65292
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Dumit, Verónica I.
A1 - Furxhi, Irini
A1 - Nymark, Penny
A1 - Afantitis, Antreas
A1 - Ammar, Ammar
A1 - Amorim, Monica J. B.
A1 - Antunes, Dalila
A1 - Avramova, Svetlana
A1 - Battistelli, Chiara L.
A1 - Basei, Gianpietro
A1 - Bossa, Cecilia
A1 - Cimpan, Emil
A1 - Cimpan, Mihaela Roxana
A1 - Ciornii, Dmitri
A1 - Costa, Anna
A1 - Delpivo, Camilla
A1 - Dusinska, Maria
A1 - Fonseca, Ana Sofia
A1 - Friedrichs, Steffi
A1 - Hodoroaba, Vasile-Dan
A1 - Hristozov, Danail
A1 - Isigonis, Panagiotis
A1 - Jeliazkova, Nina
A1 - Kochev, Nikolay
A1 - Kranjc, Eva
A1 - Maier, Dieter
A1 - Melagraki, Georgia
A1 - Papadiamantis, Anastasios G.
A1 - Puzyn, Tomasz
A1 - Rauscher, Hubert
A1 - Reilly, Katie
A1 - Jiménez, Araceli Sánchez
A1 - Scott‐Fordsmand, Janeck J.
A1 - Shandilya, Neeraj
A1 - Shin, Hyun Kil
A1 - Tancheva, Gergana
A1 - van Rijn, Jeaphianne P. M.
A1 - Willighagen, Egon L.
A1 - Wyrzykowska, Ewelina
A1 - Bakker, Martine I.
A1 - Drobne, Damjana
A1 - Exner, Thomas E.
A1 - Himly, Martin
A1 - Lynch, Iseult
T1 - Challenges and Future Directions in Assessing the Quality and Completeness of Advanced Materials Safety Data for Re‐Usability: A Position Paper From the Nanosafety Community
N2 - Ensuring data quality, completeness, and interoperability is crucial for progressing safety research, Safe‐and‐Sustainable‐by‐Design approaches, and regulatory approval of nanoscale and advanced materials. While the FAIR (Findable, Accessible, Interoperable, and Re‐usable) principles aim to promote data re‐use, they do not address data quality, essential for data re‐use for advancing sustainable and safe innovation. Effective quality assurance procedures require (meta)data to conform to community‐agreed standards. Nanosafety data offer a key reference point for developing best practices in data management for advanced materials, as their large‐scale generation coincided with the emergence of dedicated data quality criteria and concepts such as FAIR data. This work highlights frameworks, methodologies, and tools that address the challenges associated with the multidisciplinary nature of nanomaterial safety data. Existing approaches to evaluating the reliability, relevance, and completeness of data are considered in light of their potential for integration into harmonized standards and adaptation to advance material requirements. The goal here is to emphasize the importance of automated tools to reduce manual labor in making (meta)data FAIR, enabling trusted data re‐use and fostering safer, more sustainable innovation of advanced materials. Awareness and prioritization of these challenges are critical for building robust data infrastructures.
KW - Advanced materials
KW - Safety data
KW - Re-usability
KW - Nanosafety
KW - SSbD
KW - FAIR
KW - Standardisation
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-652918
DO - https://doi.org/10.1002/adsu.202500567
SN - 2366-7486
SP - 1
EP - 18
PB - Wiley-VCH
CY - Weinheim
AN - OPUS4-65291
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Kang, Chongjie
A1 - Arcones, Daniel Andrés
A1 - Becks, Henrik
A1 - Beetz, Jakob
A1 - Blankenbach, Jörg
A1 - Claßen, Martin
A1 - Degener, Sebastian
A1 - Eisermann, Cedric
A1 - Göbels, Anne
A1 - Hegger, Josef
A1 - Hermann, Ralf
A1 - Kähler, Philipp
A1 - Peralta, Patricia
A1 - Petryna, Yuri
A1 - Schnellenbach‐Held, Martina
A1 - Schulz, Oliver
A1 - Smarsly, Kay
A1 - Fatih Sönmez, Mehmet
A1 - Sprenger, Bjarne
A1 - Unger, Jörg F.
A1 - Vassilev, Hristo
A1 - Weiser, Martin
A1 - Marx, Steffen
T1 - Intelligente digitale Methoden zur Verlängerung der Nutzungsdauer der Nibelungenbrücke
N2 - Um die Lebensdauer von Bauwerken unter Wahrung derer Standsicherheit und Funktionsfähigkeit zu verlängern, bedarf es effektiver Monitorings‐ sowie Instandhaltungskonzepte. Im Rahmen des von der Deutschen Forschungsgemeinschaft (DFG) geförderten Schwerpunktprogramms 2388 „Hundert plus – Verlängerung der Lebensdauer komplexer Baustrukturen durch intelligente Digitalisierung“ (kurz: SPP 100+) werden hierfür innovative, interdisziplinäre Methoden entwickelt und an der Nibelungenbrücke in Worms (NBW) validiert. Der vorliegende Beitrag stellt einige dieser neuentwickelten digitalen Methoden vor. Unter anderem umfasst dies zwei Systeme des Structural Health Monitoring (SHM) und deren zielorientierte Verknüpfung von mehreren Beschleunigungsmessdaten zur umfassenden Zustandsbewertung. Ergänzend werden innovative datenbasierte Simulationsmethoden zur Bestimmung des Temperaturfelds des Brückenüberbaus vorgestellt sowie mehrere Finite‐Elemente‐Modelle unterschiedlicher Detailtiefe präsentiert und miteinander verglichen. Abschließend werden innovative Methoden zum Verwalten des Bestandswissens von Brückenbauwerken diskutiert. Die Methoden wurden überwiegend unabhängig voneinander entwickelt und an der NBW validiert. Im nächsten Schritt werden die Methoden integriert, um die Instandhaltung der NBW zu unterstützen.
KW - Nibelungenbrücke Worms
KW - Digitaler Zwilling
KW - Prädiktive Instandhaltung
KW - Bauwerksmonitoring
KW - Nachrechnung
KW - Verkehrsinfrastruktur
KW - FE-Modell
PY - 2025
DO - https://doi.org/10.1002/best.70070
SN - 0005-9900
VL - 121. Jahrgang 2026
SP - 1
EP - 18
PB - Ernst & Sohn a Wiley Brand
CY - Wien, Austria
AN - OPUS4-65288
LA - deu
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Kricheldorf, Hans R.
A1 - Weidner, Steffen
A1 - Meyer, Andreas
T1 - Poly(butylene terephthalate): About condensation, cyclization, degradation and elimination reactions in the solid state, and the role of smooth crystal surfaces
N2 - Three commercial poly(butylene terephthalate) (PBT) samples - Pocan B1300 (B13), Pocan B1600 (B16), and Addigy P 1210 (AP121) - served as the starting materials for the annealing experiments, which were conducted with and without the addition of esterification and transesterification catalysts. The catalysts used were Sn(II) 2-ethylhexanoate (SnOct₂), Zr(IV) acetylacetonate, and 4-toluene sulfonic acid (TSA). Temperatures varied between 150 and 210 °C. The PBT samples were characterized using differential scanning calorimetry (DSC), gel permeation chromatography (GPC), small-angle X-ray scattering (SAXS), and matrix-assisted laser desorption/ionization time-of-flight (MALDI TOF) mass spectrometry. The MALDI mass spectra of all three samples differed greatly but displayed mass peaks of cycles. Similar results were produced by annealing with SnOct₂ or Zr(acac)₄, which favored the formation of even-numbered cycles within the mass range below m/z 5000, along with slow degradation. TSA favored a more intensive degradation without the formation of cycles or even with the destruction of cycles. PBT chains with two carboxylic (COOH) end groups were the most stable species under all circumstances. The origin of the extremely high melting point of AP121 (241–242 °C) can be explained by the smoothing of crystallite surfaces via transesterification. The results suggest that combining MALDI mass spectrometry and SAXS measurements provides a new way to better understand the solid-state chemistry of PBT and related polyesters.
KW - MALDI-TOF MS
KW - Polybutylene Terephthalate
KW - Crystallization
KW - solid state
KW - cyclization
PY - 2026
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-652844
DO - https://doi.org/10.1016/j.polymdegradstab.2025.111862
SN - 0141-3910
VL - 245
SP - 1
EP - 11
PB - Elsevier Ltd.
AN - OPUS4-65284
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Arai, Marylyn Setsuko
A1 - Machado, Thales Rafael
A1 - da Silva, Beatriz Giacomelli Rodrigues
A1 - Vilela, Raquel Riciati do Couto
A1 - de Camargo, Andrea Simone Stucchi
A1 - Zucolotto, Valtencir
T1 - Biomimetic Upconverting Nanoplatforms for Glioblastoma Bioimaging and Targeted Therapy
N2 - Infectious bacterial diseases, intensified by antibiotic resistance, cause millions of deaths annually and pose risks beyond human health, including water and food contamination. Current diagnostics are often slow, require complex equipment, and lack specificity, highlighting the need for rapid and reliable detection methods. To address this, we developed a luminescent sensor based on NaYF4 upconverting nanoparticles (UCNPs) doped with Er3+ or Tm3+, coated with COOH-PEG4-COOH, and functionalized with vancomycin (Van) or polymyxin-B (Poly) to selectively target Gram-positive and Gram-negative bacteria, respectively. Gold nanoparticles (AuNPs) served as quenchers, enabling a ratiometric “turn-on” mechanism: upon bacterial binding, the UCNP emission, initially quenched by AuNPs, was partially restored. This allowed differentiation through changes in the green/red (G/R) ratio for Er-UCNP@PEG4-Van and the blue/red (B/R) ratio for Tm-UCNP@PEG4-Poly. The sensor distinguished between Gram-positive and Gram-negative bacteria over a wide concentration range (0.05 to 5 × 105 CFU/mL) and showed high correlation with actual bacterial counts (r = 0.99 for S. aureus, r = 0.91 for E. coli). This platform is a potential fast, selective, and reliable tool for bacterial detection in clinical and environmental settings.
KW - Glioblastoma
KW - Homotypic targeting
KW - Cell membrane coating
KW - Upconverting nanoparticles
KW - Temozolamide
KW - Near infrared bioimaging
KW - Drug delivery
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-652808
DO - https://doi.org/10.1021/acsanm.5c04567
SN - 2574-0970
VL - 10
IS - 39
SP - 1
EP - 13
PB - American Chemical Society (ACS)
AN - OPUS4-65280
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Meira, Maria Fernanda Cavalcante
A1 - Fernandes, Gabriela Leal Peres
A1 - de Camargo, Andréa Simone Stucchi
A1 - Ravaro, Leandro Piaggi
A1 - Arai, Marylyn Setsuko
A1 - Navarro, Maria Fidela de Lima
A1 - Brighenti, Fernanda Lourenção
A1 - Oliveira, Analú Barros de
A1 - Danelon, Marcelle
ED - Stucchi de Camargo, Andrea
T1 - Modification of restorative glass ionomer cement with zinc oxide nanoparticles and calcium glycerophosphate microparticles: in vitro assessment of mechanical properties and antimicrobial activity
N2 - Abstract The incorporation of bioactive agents into resin-modified glass ionomer cement (RMGIC) is a promising strategy to improve its mechanical strength and biofilm control, especially for patients with active dental caries. Objective This study aimed to evaluate the effects of incorporating ZnONPs and CaGP into RMGIC on its mechanical and microbiological properties. Design Six groups were tested: 1) RMGIC (without CaGP/ZnONPs); 2) RMGIC-1.0%ZnONPs; 3) RMGIC-2.0%ZnONPs; 4) RMGIC-3.0%CaGP; 5) RMGIC-3.0%CaGP-1.0%ZnONPs; and 6) RMGIC-3.0%CaGP-2.0%ZnONPs. The compressive strength (CS), diametral tensile strength (DTS), and surface hardness (SH) were evaluated after 24 hours and 7 days. Antimicrobial and antibiofilm activity were evaluated using agar diffusion and biofilm metabolic activity (XTT) assays. Results After 24 hours, all the groups showed similar DTS values (p0.05), except for RMGIC-3.0%CaGP-1.0%ZnONPs, which showed the highest DTS value (p<0.05). Comparing 24 hours and 7 days, the DTS values of RMGIC-3.0%CaGP-2.0%ZnONPs, RMGIC-3.0%CaGP, and RMGIC-3.0%CaGP-2.0%ZnONPs were similar (p=0.360). After 24 hours, the RMGIC group showed the CS highest value, followed by RMGIC-2.0%ZnONPs (p < 0.05). After 7 days, the RMGIC-3.0%CaGP-1.0%ZnONPs group exhibited the highest CS value, approximately 15% higher than RMGIC (p<0.05). The RMGIC-1.0%ZnONPs group exhibited significantly higher SH at 24 hours (p=0.621). At 7 days, the highest SH value was observed for the RMGIC-3.0%CaGP-1.0%ZnONPs group (p<0.05). Regarding antimicrobial and antibiofilm activity, including results from biofilm metabolism assays, the RMGIC-3.0%CaGP-1.0%ZnONPs group demonstrated the most effective antimicrobial and inhibitory effects (p<0.05). Conclusion This study demonstrated that adding ZnONPs and CaGP to RMGIC enhanced its mechanical and antimicrobial and antibiofilm properties, suggesting enhanced mechanical performance and improved protection against cariogenic biofilms—critical factors for successful restorative treatments. Therefore, the addition of ZnONPs and CaGP is a promising strategy to develop advanced restorative materials that improve clinical outcomes, especially for patients with active dental caries.
KW - Resin-modified glass ionomer cement
KW - Phosphate
KW - Zinc oxide nanoparticles
KW - Biofilm
KW - Mechanical properties
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-652799
DO - https://doi.org/10.1590/1678-7757-2025-0356
SN - 1678-7765
VL - 33
SP - 1
EP - 14
PB - FapUNIFESP (SciELO)
AN - OPUS4-65279
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Arai, Marylyn S.
A1 - Brambilla, Gabriel V.
A1 - Corrêa, Bruna Carolina
A1 - Merízio, Leonnam G.
A1 - Inada, Natalia M.
A1 - de Camargo, Andrea S. S.
T1 - A Dual-Mode “Turn-On” Ratiometric Luminescent Sensor Based on Upconverting Nanoparticles for Detection and Differentiation of Gram-Positive and Gram-Negative Bacteria
N2 - Infectious bacterial diseases, intensified by antibiotic resistance, cause millions of deaths annually and pose risks beyond human health, including water and food contamination. Current diagnostics are often slow, require complex equipment, and lack specificity, highlighting the need for rapid and reliable detection methods. To address this, we developed a luminescent sensor based on NaYF4 upconverting nanoparticles (UCNPs) doped with Er3+ or Tm3+, coated with COOH-PEG4-COOH, and functionalized with vancomycin (Van) or polymyxin-B (Poly) to selectively target Gram-positive and Gram-negative bacteria, respectively. Gold nanoparticles (AuNPs) served as quenchers, enabling a ratiometric “turn-on” mechanism: upon bacterial binding, the UCNP emission, initially quenched by AuNPs, was partially restored. This allowed Differentiation through changes in the green/red (G/R) ratio for Er-UCNP@PEG4-Van and the blue/red (B/R) ratio for Tm-UCNP@PEG4-Poly. The sensor distinguished between Gram-positive and Gram-negative bacteria over a wide concentration range (0.05 to 5 × 105 CFU/mL) and showed high correlation with actual bacterial counts (r = 0.99 for S. aureus, r = 0.91 for E. coli). This platform is a potential fast, selective, and reliable tool for bacterial detection in clinical and environmental settings.
KW - Lminescent sensor
KW - Upconverting nanoparticles
KW - Gram-positive and Gram-negative bacteria
KW - Ratiometric luminescent sensors
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-652785
DO - https://doi.org/10.1021/acsomega.5c07006
SN - 2470-1343
VL - 10
IS - 39
SP - 46040
EP - 46050
PB - American Chemical Society (ACS)
AN - OPUS4-65278
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Habibimarkani, Heydar
A1 - Radnik, Jörg
A1 - Hodoroaba, Vasile-Dan
A1 - John, Elisabeth
T1 - Probing Surface Changes in Fe–Ni Oxide Nanocatalysts with a ToF-SIMS-Coupled Electrochemistry Setup and Principal Component Analysis
N2 - Understanding catalyst surface dynamics under operating conditions is essential for improving electrocatalytic performance. Here, we present a novel approach combining electrochemical treatment with contamination-free transfer to Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS), followed by principal component analysis (PCA), to probe surface and interfacial changes in Ni–Fe oxide nanoparticles stabilized by polyvinylpyrrolidone (PVP) during the oxygen evolution reaction (OER). The surface analysis at three distinct treatment stages revealed distinct chemical fingerprints across pristine nanoparticles, after exposure to 1 M KOH electrolyte, and after cyclic voltammetry treatment. The results highlight a progressive transition from ligand-rich to ligand-depleted interfaces, with PVP-related fragments dominant in the early stages and metal- and electrolyte-derived species emerging after activation. Complementary ToF-SIMS analysis of electrolyte deposited on Si wafers after each treatment step confirms the concurrent leaching of PVP and Fe–Ni-based fragments during OER. These findings underscore the dynamic nature of catalyst–electrolyte interfaces and demonstrate a robust strategy for monitoring surface-sensitive chemical changes associated with the nanoparticles, especially during the initial cycles of the OER.
KW - Fe-Ni oxide
KW - Nanocatalysts
KW - ToF-SIMS
KW - Electrochemistry
KW - PCA (principal component analysis)
KW - OER
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-652667
DO - https://doi.org/10.1021/acs.analchem.5c03894
SN - 0003-2700
SP - 1
EP - 8
PB - American Chemical Society (ACS)
AN - OPUS4-65266
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Günster, Jens
A1 - Wang, Gong
A1 - Tian, Xiaoyong
T1 - 3D Printing Technologies for Extreme Environment in Space
N2 - 3D printing technology can realize the rapid fabrication of complicated structures with short production chain, which just meet the requirements for space manufacturing in the future. However, 3D printing technologies in space are still challenging due to the harsh conditions, such as microgravity, high vacuum, and large temperature difference. Meanwhile, in-situ resource utilization and recycling must be considered as a cost effective and resilient resource for 3D printing in space. On the contrary, extreme environmental conditions such as high vacuum and microgravity can also offer significant advantages for advanced materials with high purity and performance. In-situ fabrication of ultra-large components would overcome the weight and structural limitations imposed by rocket launch and change the future strategy for space exploration. The aim of this specially issue is therefore to provide a platform for discussing the potential technologies for 3D printing in space.
KW - Additive Manufacturing
KW - space
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-652654
DO - https://doi.org/10.1016/j.amf.2025.200248
SN - 2950-4317
VL - 4
IS - 3
SP - 1
EP - 2
PB - Elsevier
AN - OPUS4-65265
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Lu, Xin
A1 - Königsbauer, Korbinian
A1 - Hicke, Konstantin
T1 - Improved phase retrieval method for system simplification or fading suppression in interferometer-based φOTDR systems
N2 - Phase sensitive optical time domain reflectometry (φOTDR) systems based on different types of interferometers for phase retrieval typically require two or three photodetectors to record the outputs from the interferometer. A novel signal processing principle is proposed for phase retrieval by taking the difference between two outputs as the quadrature component and reconstructing the in-phase component via Hilbert transformation of the Q component for IQ demodulation. Thus, only one balanced photodetector or two standard photodetectors are need, reducing system complexity and data volume. This principle can also be used to suppress fading effect for the traditional three-detector φOTDR systems by selecting optimal phases across detector pairs. Experiments with a φOTDR systems based on an imbalanced Mach-Zehnder interferometer validate the feasibility of this method and demonstrate a high fading suppression of about 90%.
KW - Phase retrieval
KW - Distributed fiber sensing
KW - Structural health monitoring
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-652630
DO - https://doi.org/10.1364/OE.580984
SN - 1094-4087
VL - 33
IS - 26
SP - 54733
EP - 54746
PB - Optica Publishing Group
AN - OPUS4-65263
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Sathiyamani, S.
A1 - Ngiam, S.
A1 - Bonnerot, O.
A1 - Jaengsawang, S.
A1 - Panarut, P.
A1 - Helman-Wazny, Agnieszka
A1 - Colini, C.
T1 - Material Characterisation of 19–20th Century Manuscripts from Northern Thailand
N2 - Material analysis was carried out on four manuscripts from Northern Thailand, which included two palm-leaf manuscripts and two paper manuscripts. The two palm-leaf manuscripts MS 6 and MS 7 were found to have been written in the traditional method, wherein text was incised on the surface of the leaves, and then soot applied to the surfaces, confirmed by the identification of carbon ink. MS 7 additionally showed the presence of trace levels of iron in the ink, either from soot paste or from the stylus used for inscribing. The paper manuscript MS 3 was written in iron-gall ink, with sections written using a methyl-violet based ink while MS 4 was written in carbon ink. The paper used in the case of MS 3 was found to be machine made, while khoi fibres (Streblus asper) were used for making the paper used for MS 4. A combination of traditional and modern pigments, like molybdenum orange, was used for decorating the edges and cover. The results improved our understanding of these manuscripts in particular, and also provided us with insights about the rapid adoption of modern materials and their incorporation into the production of written artefacts from Northern Thailand in the late 19th and early 20th centuries.
KW - Materials analysis
KW - Paper manuscript
KW - Palm-leaf manuscript
KW - Writing inks
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-652586
DO - https://doi.org/10.1515/res-2023-0028
SN - 0034-5806
VL - 45
IS - 2-3
SP - 117
EP - 140
PB - Walter de Gruyter GmbH
AN - OPUS4-65258
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Rossi, Andrea
A1 - Corrao, Elena
A1 - Alladio, Eugenio
A1 - Drobne, Damjana
A1 - Hodoroaba, Vasile-Dan
A1 - Jurkschat, Kerstin
A1 - Kononenko, Veno
A1 - Madbouly, Loay Akmal
A1 - Mrkwitschka, Paul
A1 - Yasamin, Nakhli
A1 - Novak, Sara
A1 - Radnik, Jörg
A1 - Saje, Špela
A1 - Santalucia, Rosangela
A1 - Sordello, Fabrizio
A1 - Pellegrino, Francesco
T1 - Multivariate optimization and characterization of graphene oxide via design of experiments and chemometric analysis
N2 - Controlling the structure and properties of graphene oxide (GO) remains a challenge due to the poor reproducibility of conventional synthetic protocols and limited understanding of parameter-property relationships. In this study, we present an integrated analytical framework that combines Design of Experiments (DoE) with chemometric modelling to systematically assess the effects of eight synthesis variables on GO’s physicochemical and functional features. A Plackett–Burman experimental design enabled efficient screening of synthesis conditions, while comprehensive characterization (spanning UV–Vis spectroscopy, XPS, SEM–EDX, TEM–EDX, and XRD) was coupled with multivariate tools (Principal Component Analysis and Multiple Linear Regression) to identify statistically significant correlations between synthetic inputs and material responses. Notably, we demonstrate that UV–Vis spectra can serve as a robust proxy for oxidation state, offering a rapid and accessible alternative to surface-sensitive methods. The approach yields a predictive analytical toolkit for guiding GO synthesis and highlights a generalizable strategy for the rational design of flat nanomaterials. This work supports reproducible, resource-efficient material development aligned with Safe and Sustainable by Design (SSbD) principles.
KW - Graphene oxide
KW - 2D-materials
KW - Design of Experiment
KW - Synthesis
KW - Chemometric analysis
PY - 2026
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-652576
DO - https://doi.org/10.1016/j.flatc.2025.100988
SN - 2452-2627
VL - 55
SP - 1
EP - 9
PB - Elsevier B.V.
AN - OPUS4-65257
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Madbouly, Loay Akmal
A1 - Sturm, Heinz
A1 - Doolin, Alexander
A1 - Hodoroaba, Vasile-Dan
A1 - Radnik, Jörg
T1 - Chemical Analysis of Commercial Functionalized Graphene Nanoplatelets along the Production Process with Raman Spectroscopy and X-ray Photoelectron Spectroscopy
N2 - Commercial applications increasingly rely on functionalized graphene nanoplatelets (GNPs) supplied as powders, aqueous suspensions, and printable inks, yet their process−structure−property relationships across the production chain remain to be fully mapped. Here we apply a correlative Raman spectroscopy (Raman) and X-ray photoelectron spectroscopy (XPS) workflow to nine independent industrial graphene batches spanning three surface chemistries, raw (R), fluorinated (F), and nitrogen-functionalized (N), in all three physical forms which are powders, suspensions, and inks.
Raman mapping (with a 532 nm excitation laser) showed that I2D/IG is highest for N samples and lowest for R-ink. A 2D-vs-G correlation places all samples on a trajectory parallel to the pure-doping vector, which can correlate to holes in the graphene lattice. The mean point-defect spacing is LD = 8.4−10.0 nm. High-resolution XPS resolves the accompanying chemical changes: F-powder exhibits distinct C−F (289 eV), C−F2 (292 eV), and C−F3 (293 eV) components and loses roughly half its F content upon dispersion in deionized water or ink formulation; inks of all chemistries show a pronounced O−C=O peak near 289−290 eV originated from the ink compounds. N-functionalized samples showed a prominent C−N (285.5 eV) only for the ink formulated N-functionalized sample. This study establishes a process-aware blueprint linking the functionalization route and formulation step to lattice disorder and surface chemistry, offering transferable quality-control metrics for graphene supply chains in industrial products/applications such as coatings, storage devices, and printed electronics.
KW - Functionalized graphene
KW - Raman Spectroscopy
KW - XPS
KW - Chemical analysis
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-652548
DO - https://doi.org/10.1021/acs.jpcc.5c06820
SN - 1932-7447
VL - 129
IS - 50
SP - 22033
EP - 22040
PB - American Chemical Society (ACS)
AN - OPUS4-65254
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Poliakova, A.
A1 - Ciotti, G.
A1 - Helman-Wazny, Agnieszka
A1 - Fromm, J.
T1 - Phytolith assemblages from palm leaves and palm-leaf manuscripts: what is the difference and what it could mean?
N2 - We studied freshly collected, dried and herbarized leaf fragments of two palms, namely Borassus flabellifer L. and Corypha umbraculifera L., most commonly used for palm-leaf manuscript (PLM) production in South (S) and Southeast Asia (SE) in order to reveal differences in their phytolith assemblages. For each of the two palms, 25 leaf samples were taken from the two Indian states of Kerala and Tamil Nadu. Dried leaf material was obtained from the fresh one by drying the leaves in air. Herbarium samples were obtained from two independent herbaria, specimen origin comprises S and SE Asia with the main focus on South India and Sri Lanka. Additionally, 25 manuscripts made of Borassus flabellifer leaves and 25 manuscripts made of Corypha umbraculifera leaves were investigated for phytoliths. All manuscripts are preliminary dated back to between the 16th and the beginning of the 20th century CE; most of them assumedly were produced in S India (Tamil Nadu and Kerala), Sri Lanka, Burma or Indonesia. Phytolith assemblages significantly differed between fresh, dry and herbarized palm leaves in comparison to PLM material, both qualitatively and quantitatively (mean r2 = - 0.61 ± 9.3 for Borassus samples and r2 = - 0.75 ± 5.3 for Corypha samples, at p < 0.001). Fifty-three phytolith types described for PLM material were not observed in any of the fresh, dry or herbarized palm-leaf samples. Geographical analysis of PLM-specific phytoliths suggests that the combination of those phytoliths could be region-related. In this paper, we prove that the methods of palaeoecological reconstructions based on detailed microscopy of the PLMs surface and phytolith analysis applied in combination with methods of mathematical and computer data analysis can contribute to answer the questions posed by material codicology by revealing lost manuscript production recipes and by studying manuscript provenance in terms of the geographical origin of the artefacts. Our approach can potentially open a new perspective for palaeoecological studies expanding their traditional scope and making them applicable to a new research field.
KW - Palm-leaf manuscripts
KW - Material codicology
KW - Palaeoecology
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-652517
DO - https://doi.org/10.3389/fpls.2024.1482790
SN - 1664-462X
VL - 15
SP - 1
EP - 29
PB - Frontiers Media SA
AN - OPUS4-65251
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Evans, Alexander
A1 - Schröder, Jakob
A1 - Pirling, T.
A1 - Ulbricht, Alexander
A1 - Suárez Ocaño, Patricia
A1 - Bruno, Giovanni
T1 - Resolving the Subsurface Residual Stress Maximum in Laser Powder Bed-Fused 316L Stainless Steel by Diffraction-Based Analysis
N2 - Laser powder bed fusion (PBF-LB/M) is a metal additive manufacturing process. Due to the complex nature of the layer-wise, repeated heating and cooling cycles, it tends to generate high-magnitude residual stresses. If not correctly understood and mitigated through in- or post-process approaches, these residual stresses can be detrimental as they are often tensile at the surface. However, determining the magnitude and location of peak tensile residual stresses is not trivial as they are often located subsurface. This work focuses on determining the magnitude and location of these deleterious tensile residual stresses in a PBF-LB/316L specimen. Two diffraction-based Methods are used to reveal the relationship between the residual stresses and the underlying microstructure. On the one hand, high spatial resolution Neutron diffraction is used to determine triaxial stresses from the bulk to a depth of 0.15 mm. On the other hand, laboratory X-ray diffraction coupled with electrolytical layer removal allows the biaxial residual stress depth profile to be probed from the surface to a depth of about 0.6 mm. The results show a good agreement between the two methods. The peak residual stress is shown to be 500 MPa, which appears as a plateau between 0.08 and 0.35 mm in depth.
KW - Residual stress
KW - Diffraction
KW - Laser Powder Bed Fusion
KW - 316L
KW - Additive manufacturing
KW - Microstructure
KW - AGIL
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-652138
DO - https://doi.org/10.1007/s11837-025-07719-y
SN - 1543-1851
VL - 77
IS - 12
SP - 9726
EP - 9737
PB - Springer Nature
AN - OPUS4-65213
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - European Food Safety Authority (EFSA),
A1 - European Centre for Disease Prevention and Control (ECDC),
A1 - European Chemicals Agency (ECHA),
A1 - European Environment Agency (EEA),
A1 - European Medicines Agency (EMA),
A1 - European Commission's Joint Research Centre (JRC),
T1 - Scientific report - Impact of the use of azole fungicides, other than as human medicines, on the development of azole‐resistant Aspergillus spp.
N2 - The use of azoles in the European Union and European Economic Area (EU/EEA) other than as human medicines has raised concerns about emergence and spread of azole‐resistant Aspergillus species. EU agencies, with the support of JRC, reviewed the evidence and provided conclusions and recommendations on this topic. Although incomplete, data from 2010 to 2021 showed that around 120,000 tonnes of azoles were sold in EU/EEA for uses other than as human medicines. The majority are used as plant protection products (119,000 tonnes), with a stable temporal trend. Evidence supported a link between environmental azole exposure and cross‐resistance selection to medical azoles in Aspergillus species (primarily shown for A. fumigatus). Prevalence of azole‐resistant A. fumigatus in human A. fumigatus infections ranges from 0.7% to 63.6% among different disease presentations and geographic regions; mortality rates range from 36% to 100% for invasive aspergillosis (IA). It was concluded that azole usage outside the human domain is likely or very likely to contribute to selection of azole‐resistant A. fumigatus isolates that could cause severe disease like IA. Environmental hotspots for resistance selection were identified, including stockpiling of agricultural waste and their possible use as soil amendment/fertiliser for certain agricultural crops (for plant protection products) and freshly cut wood (for biocides). Recommendations were formulated on measures to prevent and control selection of azole resistance in A. fumigatus, including implementation of good agricultural/horticultural practices, proper agricultural and wood waste storage and management, and on approval of new azole fungicides or renewal of existing fungicides. Recommendations on topics to be covered by studies provided when submitting applications for the approval of azole fungicides were listed. For the evaluation of such studies within the approval procedure, a preliminary framework for risk assessment was developed and should be further refined. Data gaps and uncertainties were identified, alongside with respective recommendations to address them.
KW - Antimicrobial surfaces
KW - Biocides
KW - Antimicrobial resistance
KW - Azoles
KW - Fungi
KW - Wood preservatives
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-652175
DO - https://doi.org/10.2903/j.efsa.2025.9200
SN - 1831-4732
VL - 23
IS - 1
SP - 1
EP - 35
PB - Wiley
CY - Hoboken, NJ
AN - OPUS4-65217
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Melzer, Michael
A1 - Deschermeier, Regina
A1 - Bünger, Lars
A1 - Wroblowski, Oliver
A1 - Demir, Muhammed-Ali
A1 - Bubser, Florian
A1 - Schüür, Jens
T1 - The DCC for temperature and humidity quantities: good practice for enhanced interoperability
N2 - In the context of digitalisation, digital calibration certificates are key to provide a fully machine-readable exchange format for metrological traceability of measurements. The most significant challenge is to establish a unique and harmonized DCC scheme, especially within the communities of specific measurement quantities. Here, we focus on the key aspect of refTypes within DCCs, and present recommendations and good practices developed by the DCC working group from the technical committee for temperature and humidity quantities within the German Calibration Service (DKD). Storage of process and quantity information relies on so called refTypeattributes which associate specific meanings to particular information in the DCC architecture. The meanings of some distinguished quantity-specific refTypes are described in this work. For various information that are specific to calibration certificates for temperature and humidity quantities, dedicated good practice implementations in XML are provided, e.g. self-heating, hysteresis as well as the calibration medium and the temperature scale used. Furthermore, the statement of the ambient conditions, that are included in almost any DCC is presented on the example of the ambient temperature.
These digitization efforts will allow to automate quality management and metrological traceability in laboratories and industrial measurement technology.
KW - Digital calibration certificate
KW - QI-Digital
KW - Automation
KW - Temperature measurement
KW - Metrological traceability
PY - 2025
DO - https://doi.org/10.1016/j.measurement.2025.120109
SN - 0263-2241
VL - 263
SP - 1
EP - 12
PB - Elsevier B.V.
AN - OPUS4-65175
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Liu, Cong
A1 - Aumont, Cédric
A1 - Mikhailova, Alina A.
A1 - Audisio, Tracy
A1 - Hellemans, Simon
A1 - Weng, Yi-Ming
A1 - He, Shulin
A1 - Clitheroe, Crystal
A1 - Wang, Zongqing
A1 - Haifig, Ives
A1 - Sillam-Dussès, David
A1 - Buček, Aleš
A1 - Tokuda, Gaku
A1 - Šobotník, Jan
A1 - Harrison, Mark C.
A1 - McMahon, Dino P.
A1 - Bourguignon, Thomas
T1 - Unravelling the evolution of wood-feeding in termites with 47 high-resolution genome assemblies
N2 - Termites are a lineage of social cockroaches abundant in tropical ecosystems where they are key decomposers of organic matter. Despite their ecological significance, only a handful of reference-quality termite genomes have been sequenced, which is insufficient to unravel the genetic mechanisms that have contributed to their ecological success. Here, we perform sequencing and hybrid assembly of 45 taxonomically and ecologically diverse termites and two cockroaches, resulting in haplotype-merged genome assemblies of 47 species, 22 of which were near-chromosome level. Next, we examine the link between termite dietary evolution and major genomic events. We find that Termitidae, which include ~80% of described termite species, have larger genomes with more genes and a higher proportion of transposons than other termites. Our analyses identify a gene number expansion early in the evolution of Termitidae, including an expansion of the repertoire of CAZymes, the genes involved in lignocellulose degradation. Notably, this expansion of genomes and gene repertoires coincided with the origin of soil-feeding in Termitidae and remained unchanged in lineages that secondarily reverted to a wood-based diet. Overall, our sequencing effort multiplies the number of available termite genomes by six and provides insights into the genome evolution of an ancient lineage of social insects.
KW - Comparative genomics
KW - Entomology
KW - Genome evolution
KW - Phylogenetics
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-651719
DO - https://doi.org/10.1038/s41467-025-65969-5
SN - 2041-1723
VL - 16
SP - 1
EP - 14
PB - Springer Science and Business Media LLC
AN - OPUS4-65171
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Kunji Purayil, Sruthi Krishna
A1 - Aroliveetil, S.
A1 - Chaturvedi, A.
A1 - Balasubramaniam, K.
T1 - Simulation-assisted multimodal deep learning (Sim-MDL) fusion models for the evaluation of thermal barrier coatings using infrared thermography and Terahertz imaging
N2 - Thermal Barrier Coatings (TBCs) are critical for high-temperature applications, such as gas turbines and aerospace engines, protecting metallic substrates from extreme thermal stress and degradation. Accurate evaluation of TBCs is essential to improve operational efficiency, optimize predictive maintenance strategies, and extend component life. Conventional non-destructive evaluation (NDE) techniques such as infrared thermography (IRT) and terahertz (THz) imaging have been widely used for TBC inspection with limitations when used independently, including sensitivity to surface conditions, limited penetration depth mainly in multi-layer coatings. This study proposes a novel framework called simulation-assisted multimodal deep learning (Sim-MDL) that combines IRT and THz data for a comprehensive evaluation of TBCs. To generalize the study to varying thermophysical properties of TBCs, the study uses simulation-generated data along with experimental data for training deep learning models. Two deep learning frameworks based on a 1D convolutional neural networks (CNN) and a long short-term memory (LSTM) with attention were developed for the multimodal feature fusion. The IR-THz fused frameworks enable simultaneous prediction of key TBC topcoat properties including thermal conductivity, heat capacity, topcoat thickness and refractive index. Experiments were conducted on four newly coated samples topcoat thicknesses ranging from 24 to 120 μm. An attention-based LSTM model trained on both simulation and experimental data shows high prediction accuracy with MAPE values ranging from 2.06% to 4.43% for thermal conductivity, 2.05% to 3.57% for heat capacity, 11.53% to 1.75% for topcoat thickness, and 0.27% to 1.05% for refractive index, respectively, for the topcoat layers of four samples. The proposed Sim-MDL framework outperformed single-modality and conventional parameter estimation methods in accuracy and robustness, highlighting the potential of multimodal data for automated analysis of TBC in industrial settings.
KW - Multimodal fusion
KW - Deep Learning
KW - Infrared Thermography
KW - Terahertz
KW - Thermal Barrier Coatings (TBC)
KW - Non-destructive Evaluation (NDE)
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-651747
DO - https://doi.org/10.1038/s41598-025-31783-8
SN - 2045-2322
VL - 16
SP - 1
EP - 33
PB - Springer Science and Business Media LLC
AN - OPUS4-65174
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Grzelec, Małgorzata
A1 - Haas, Sylvio
A1 - Helman-Ważny, Agnieszka
T1 - Application of scanning small-angle X-ray scattering in the identification of sheet formation techniques in historical papers
N2 - Among writing substrates produced historically in different regions of the world, paper is one of the most complex materials. Its complexity results not only from a variety of highly processed ingredients, which can be used in its production, but also from a variety of methods in which these materials are combined to form the fibrillar network referred to as paper. While material identification methods are well established in the analysis of historical papers, the identification of manufacturing technologies is still an under-researched topic, that requires the development of appropriate methods and measurement protocols. This paper reports on the results of a research project aimed at the application of synchrotron scanning small angle X-ray scattering (SAXS) method in the characterization of paper structure, with emphasis on the assessment of fibrillar orientation as a marker characteristic for different, historical papermaking technologies. The main objective of this study consists of the development of a measurement protocol involving the SAXS technique complemented by other analytical methods in the characterization of the fibrous paper structure.
KW - SAXS
KW - Paper analysis
KW - Papermaking technology
KW - Fiber orientation
PY - 2024
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-651594
DO - https://doi.org/10.1007/s00339-024-08157-4
SN - 0947-8396
VL - 131
IS - 1
SP - 1
EP - 16
PB - Springer Science and Business Media LLC
AN - OPUS4-65159
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Holzer, Marco
A1 - Johansen, Sidsel M.
A1 - Christensen, Johan F.S.
A1 - Smedskjaer, Morten M.
A1 - Cicconi, Maria Rita
A1 - de Ligny, Dominique
A1 - Müller, Ralf
A1 - de Camargo, Andrea S.S.
A1 - Maaß, Robert
T1 - Direct connection between secondary relaxation mode and fracture toughness in alkali-aluminosilicate glasses
N2 - Oxide glasses are intrinsically brittle, lacking sufficient atomic-scale mechanisms that can relax mechanical stresses in the vicinity of a propagating crack. As a result, fracture is typically well-captured by considering local bond rupture at the crack tip. Here we demonstrate that barrier energies related to the low-temperature 𝛾-relaxation mode in alkali-aluminosilicate glasses are inversely related to the fracture toughness measured via standardized three-point bending fracture experiments. This holds true for both a series with varying cations (Li, Na, K) and one with varying Li concentration. The structural rationale for this finding is gained via Raman spectroscopy. The findings suggest that a fundamental structural relaxation mode measured on bulk specimens can serve as an effective guideline for fracture toughness of oxide glasses. Data for additional silicate glasses support this conclusion.
KW - Fracture toughness
KW - Oxide glass
KW - Mechanical properties
KW - Alkali-aluminosilicate glasses
KW - Internal friction
PY - 2026
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-651540
DO - https://doi.org/10.1016/j.mtadv.2025.100669
SN - 2590-0498
VL - 29
SP - 1
EP - 10
PB - Elsevier Ltd.
CY - Amsterdam, Niederlande
AN - OPUS4-65154
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Graebner, Maraike
A1 - Giese, Marcel
A1 - Lorenz, Svenja
A1 - Treutler, Kai
A1 - Schröpfer, Dirk
A1 - Wesling, Volker
A1 - Kannengießer, Thomas
T1 - Wear resistance of modified NiMoCrSi claddings in relation to the resulting surface machinability via ultrasonic-assisted milling
N2 - In the field of plastics processing, extruder screws are subjected to significant wear stresses. The extruder screw is the main wear component in those production machines and is usually coated with intermetallic wear protection alloys composed of Ni-based alloys, specifically Colmonoy C56 PTA (NiMoCrSi). There is a growing demand for providing an economic machinability of these alloys to achieve defined contours with a sufficient surface integrity. Recent investigations exhibit promising results applying ultrasonic milling for such hard-to-cut materials. The Colmonoy C56 is modified by various alloying additions Ti, Nb, Mo, Hf, and Al, and then cladded on a steel S355 via Plasma Transferred Arc process. The effect of alloying additions on the microstructure is analyzed regarding their resistance to abrasive and adhesive wear. With Miller test ASTM G75 the influence of alloying elements on resistance to abrasive wear for two abrasive materials is investigated (high-grade corundum F220 and quartz powder). The wear loss is not increased for additions of Nb and Ti compared to the base material C56. Modifications with Hf or Al reduces the resistance to abrasive wear and significantly increases material loss. The extruder screw is also subject to adhesive wear, which can be quantified by means of the pin-roll test. It is demonstrated that the addition of Hf, for example, contributes to a reduction in wear loss. Aim of the investigations is to find suitable modifications for the wear claddings of C56 for a sufficient machineability, without compemising the wear resistant. The machinability is considerably affected by the alloy additions, and is determined using ultrasonic-assisted milling. The addition of hafnium reduces machinability, i.e. significantly increases cutting forces. The incorporation of Nb exhibits a significant reduction of cutting forces, and results in reduced tool wear and an enhanced of surface integrity (roughness, density of defects, residual stresses).
KW - Colmonoy C56
KW - PTA welding
KW - Adhesive wear
KW - Abrasive wear
KW - Ultrasonic-assisted milling process
KW - Surface integrity
KW - Service life and efficiency
KW - Substitution of critical raw materials
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-651530
DO - https://doi.org/10.1016/j.wear.2025.205830
SN - 0043-1648
VL - 571
SP - 1
EP - 10
PB - Elsevier B.V.
AN - OPUS4-65153
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Durlo Tambara, Luís Urbano
A1 - Nikoonasab, Ali
A1 - Radtke, Martin
A1 - de Oliveira Guilherme Buzanich, Ana
A1 - Gluth, Gregor
T1 - Determination of the oxidation depths of ground granulated blast furnace slag-containing cement pastes using Mn K-edge X-ray absorption near-edge structure spectroscopy
N2 - The redox potential of the pore solution of hardened cements containing ground granulated blast furnace slag (GGBFS) affects reinforcement corrosion and immobilization of radioactive waste. Here, Mn K-edge X-ray absorption near-edge structure (XANES) spectroscopy was applied to determine the depth profile of the oxidation state of manganese in hardened GGBFS-containing cement pastes. Manganese was oxidized in the outer regions of some of the pastes, but the depth to which this occurred was not identical with the ‘blue-green/white color change front’, usually interpreted as indicating oxidation of sulfur species. For CEM III/B, the color change of the material was gradual and thus unsuitable for a precise determination of the oxidation depth, while for the alkali-activated slag, a distinct color change front was found, but full oxidation of manganese and sulfur had not occurred in the brighter region. Mn K-edge XANES spectroscopy is thus a more reliable method than the determination of the visual color change front to follow the ingress of the oxidation front.
KW - Manganese
KW - Oxidation
KW - Sulfide
KW - Alkali-activated materials
KW - Redox conditions
PY - 2026
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-651469
DO - https://doi.org/10.1111/jace.70445
SN - 0002-7820
SN - 1551-2916
VL - 109
IS - 1
SP - 1
EP - 11
PB - Wiley
CY - Oxford
AN - OPUS4-65146
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Tabin, J.
A1 - Kawałko, J.
A1 - Schob, Daniela
A1 - Roszak, R.
A1 - Brodecki, A.
A1 - Bała, P.
A1 - Maasch, philipp
A1 - Kowalewski, Z.
A1 - Ziegenhorn, M.
T1 - Deformation-induced martensitic transformation in fused filament fabrication austenitic stainless steels during tension at wide range of temperatures (77 K, RT)
N2 - This study investigates the mechanical behaviour of fused filament fabrication (FFF) of 316L austenitic stainless steel compared to conventional 316L at room temperature and 77 K, focusing on deformation-induced martensitic transformation (DIMT). Results reveal that the Lüders-like effect, present in conventional 316L at 77 K, is absent in FFF 316L due to porosities that hinder martensitic front propagation. At room temperature, uniform strain distribution and DIMT were observed in conventional 316L, whereas in FFF 316L, martensitic nucleation occurred around pores, serving as a localized strengthening mechanism. Microstructural analysis identified Fe-δ islands along grain boundaries in FFF 316L, which contribute to its multiphase nature. Although FFF 316L demonstrates lower yield stress and elongation compared to conventional 316L, this study does not establish design allowables. The present findings are limited to monotonic tensile behaviour, fatigue performance and corrosion resistance under cryogenic conditions were not assessed. Further optimization of fabrication parameters to minimize ferrite content and porosities is suggested to enhance mechanical performance.
KW - TRIP effect
KW - Fused filament fabrication
KW - 316L
KW - Cryogenic
KW - Cryogenic temperatures
KW - Microstructure
PY - 2026
DO - https://doi.org/10.1016/j.msea.2025.149552
SN - 0921-5093
VL - 950
SP - 1
EP - 13
PB - Elsevier B.V.
AN - OPUS4-65141
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Schmalz, Alina
A1 - Eby, Charles Gaston
A1 - Moss, Caitlin
A1 - Bhattacharya, Biswajit
A1 - Emmerling, Franziska
T1 - Thermally Robust 1D Cu(I) Phosphonate Coordination Polymer Exhibiting Enhanced Proton Conductivity via Humidity‐Driven Pathways
N2 - The development of thermally stable solid-state proton conductors (SSPCs) is crucial for advancing energy-conversion devices such as proton-exchange membrane fuel cells (PEMFCs). In this work, we report the solvothermal synthesis and characterization of a novel, 1D Cu(I) coordination polymer, {Cu(ADP)0.5(BPY)}n (BAM-5), based on anthracenediylphosphonate (H2ADP) and 4,40 -bipyridine (BPY). Single-crystal X-ray diffraction revealed that BAM-5 crystallizes in the triclinic space group P1 and shows a 1D ladder structure connected by the H2ADP and organic BPY linkers, which is assembled into a 2D layer via O−H···O hydrogen bonding interactions between uncoordinated oxygen and the O−H of the phosphonate group. Thermogravimetric and dynamic water sorption analysis demonstrated exceptional thermal robustness of BAM-5 until 230°C and notable water affinity. Proton conductivity measurements found increasing proton conductive properties with increasing temperature and relative humidity.The latter is correlated with the material’s water uptake since the structure itself does not contain any permanent lattice water molecules. A maximum proton conductivity of 6.6 × 10−6 S cm−1 was found at 80°C and 98% RH. To the best of our knowledge, no dense, nonporous 1D coordination polymer without lattice or coordinated solvent molecules has shown comparable proton con� ductivity. The high activation energy suggests a combination of both, a Grotthuss-type proton hopping through the hydrogen� bonded framework, and a vehicular process, in which protons are carried along with absorbed water molecules.
KW - Coordination polymers
KW - Phosphonate ligand
KW - Proton conduction
KW - X-ray diffraction
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-651382
DO - https://doi.org/10.1002/zaac.202500187
SN - 0044-2313
SP - 1
EP - 8
PB - Wiley VHC-Verlag
AN - OPUS4-65138
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Ferrari, Bruno
A1 - Fantin, Andrea
A1 - Said, D.
A1 - Fitch, A. N.
A1 - Suárez Ocano, Patricia
A1 - Mishurova, Tatiana
A1 - Roveda, Ilaria
A1 - Kromm, Arne
A1 - Darvishi Kamachali, Reza
A1 - Bruno, Giovanni
A1 - Evans, Alexander
A1 - Requena, G.
A1 - Agudo Jácome, Leonardo
A1 - Serrano Munoz, Itziar
T1 - The impact of scanning strategy on cell structures in PBF-LB/M/IN718: an in situ synchrotron x-ray diffraction study
N2 - In additive manufacturing, any change of the process parameters, such as scanning strategy, directly affects the cooling rates, heat accumulation, and overall thermal history of the build. Consequently, parts built with different process parameters tend to have different levels of crystallographic texture, residual stress, and dislocation density. These features can influence the properties of the material and their development during post-processing operations. In this study, IN718 prisms were built by laser powder bed fusion (PBF-LB/M) using two different scanning strategies (continuous 67° rotations around the build direction, ROT, and alternating 0°/67° scans, ALT) to provide two different as-built conditions. In situ time-resolved synchrotron diffraction was performed during a solution heat treatment at 1027 °C for 1 h. Ex situ scanning electron microscopy was used to support and complement the in situ observations. An approach to quantify the effect of elemental microsegregation at the cell walls is developed based on the deconvolution of asymmetric γ-nickel matrix peaks. Following this approach, the scanning strategies are shown to affect the as-built fraction of cell walls in the material, resulting in a difference of approximately 5 %, in weight fraction, between ROT and ALT (19 % vs. 24 %, respectively). This microsegregation was observed to be rapidly homogenized during the heating ramp, and no significant changes to the peak shape in the γ peaks occurred during the isothermal part of the heat treatment, regardless of the scanning strategy.
KW - Additive manufacturing
KW - Inconel 718
KW - Synchrotron x-ray diffraction
KW - Heat treatment
KW - Laser powder bed fusion
KW - Cellular microstructure
PY - 2026
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-650958
DO - https://doi.org/10.1016/j.jmrt.2025.11.214
SN - 2238-7854
VL - 41
SP - 593
EP - 608
PB - Elsevier B.V.
AN - OPUS4-65095
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Scharpmann, Philippa
A1 - Leonhardt, Robert
A1 - Schmidt, Anita
A1 - Kowal, Julia
A1 - Tichter, Tim
A1 - Krug von Nidda, Jonas
T1 - Exploring restrictive overdischarge cycling as a method to accelerate characteristic ageing in lithium-ion cells
N2 - This study presents a test protocol that greatly accelerates the ageing process of lithium-ion battery cells comprising a positive electrode of nickel manganese cobalt oxide while preserving their characteristic degradation upon cyclic ageing. Applying a repetitive restricted overdischarge, resulting in a depth of discharge larger than 100%, a capacity loss of 20% is achieved over five times faster compared to conventional cycling. The well-known overdischarge degradation phenomenon of copper current collector dissolution is deliberately prevented by setting a discharge cutoff voltage above the theoretical threshold of copper oxidation. Hence, the accelerated degradation can be primarily connected to solid electrolyte interphase growth.
A comparative assessment of the ageing dynamics using electrochemical impedance spectroscopy and differential voltage analysis hints towards similar, characteristic degradation processes during accelerated and conventional ageing. A post-ageing examination of the electrical behaviour (i.e., coulombic and energy efficiency, capacity fade) under reference conditions reveals very little to no lasting damages caused by
overdischarging. Additionally, post-mortem analysis discloses no increased copper dissolution when comparing cells subjected to accelerated and conventional ageing. Generally, the developed ageing method appears suitable for providing cells with a defined state of health at a reasonable timescale without altering the main degradation mechanisms significantly.
KW - Lithium-ion cell
KW - Accelerated ageing
KW - Overdischarge
KW - Degradation processes
KW - Differential voltage analysis
KW - Electrochemical impedance spectroscopy
PY - 2026
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-650917
DO - https://doi.org/10.1016/j.jpowsour.2025.239072
SN - 0378-7753
VL - 665
SP - 1
EP - 9
PB - Elsevier B.V.
AN - OPUS4-65091
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Hachet, G.
A1 - Wei, S.
A1 - Tehranchi, Ali
A1 - Dong, X.
A1 - Lestang, J.
A1 - Zhang, A.
A1 - Sun, B.
A1 - Zaefferer, S.
A1 - Gault, B.
A1 - Ponge, D.
A1 - Raabe, D.
ED - Tehranchi, Ali
T1 - Protection of metal interfaces against hydrogen-assisted cracking
N2 - Enabling a hydrogen economy requires the development of materials resistant to hydrogen embrittlement (HE). More than 100 years of research have led to several mechanisms and models describing how hydrogen interacts with lattice defects and leads to mechanical property degradation. However, solutions to protect materials from hydrogen are still scarce. Here, we investigate the role of interstitial solutes in protecting critical crystalline defects sensitive to hydrogen. Ab initio calculations show that boron and carbon in solid solutions at grain boundaries can efficiently prevent hydrogen segregation. We then realized this interface protection concept on martensitic steel, a material strongly prone to HE, by doping the most sensitive interfaces with different concentrations of boron and carbon. These segregations, in addition to stress relaxations, critically reduce the hydrogen ingress by half, leading to an unprecedented resistance against HE. This tailored interstitial segregation strategy can be extended to other metallic materials susceptible to hydrogen-induced interfacial failure.
KW - Hydrogen embrittlement
KW - interstitial
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-650881
DO - https://doi.org/10.1038/s41467-025-67310-6
SN - 2041-1723
VL - 16
SP - 1
EP - 11
PB - Springer Science and Business Media LLC
AN - OPUS4-65088
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - del Rocío Silva-Calpa, Leydi
A1 - de Souza Bernardes, Andrelaine
A1 - de Avillez, Roberto Ribeiro
A1 - Smales, Glen J.
A1 - Camarena, Mariella Alzamora
A1 - Ramos Moreira, Carla
A1 - Zaitsev, Volodymyr
A1 - Archanjo, Braulio Soares
A1 - Letichevsky, Sonia
T1 - From support to shell: An innovative design of air-stable nano zero-valent iron–nickel catalysts via structural self-assembly
N2 - This work presents the design of air-stable core–shell zero-valent iron–nickel nanofilaments supported on silica and zeolite, developed to overcome the oxidation limitations of nano zero-valent iron in environmental catalysis. The nanofilaments feature ∼ 100 nm iron–nickel cores surrounded by ultrafine iron-rich threads embedded with aluminates and silicates, originating from partial support dissolution during synthesis. By varying the iron reduction time, three catalysts were prepared: one on silica reduced for 30 min, and two on zeolite reduced for 30 and 15 min. They were thoroughly characterized using nitrogen physisorption, X-ray diffraction, electron microscopy with elemental analysis, Mössbauer spectroscopy, and small-angle X-ray scattering. The zeolite-supported catalyst reduced for 15 min showed the highest activity for hexavalent chromium reduction (rate constant 8.054 min−1), attributed to a higher fraction of reactive iron–nickel phases formed under shorter reduction. Its tailored core–shell structure improves air stability and surface reactivity, highlighting its potential as a next-generation zero-valent iron nanocatalyst for aqueous remediation
KW - nanofilaments
KW - Core–shell nanostructures
KW - Air-stable nanomaterials
KW - Structure-controlled FeNi nanoparticles
KW - Hexavalent chromium reduction
KW - X-ray scattering
KW - MOUSE
PY - 2025
DO - https://doi.org/10.1016/j.mtcomm.2025.114142
SN - 2352-4928
VL - 49
SP - 1
EP - 15677
PB - Elsevier Ltd.
AN - OPUS4-65087
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Berry, Charlotte A.
A1 - Reinart, Katre
A1 - Smales, Glen J.
A1 - Wilkinson, Holly N.
A1 - Hardman, Matthew J.
A1 - Marchesini, Sofia
A1 - Lee, William
A1 - Nery, Eveliny Tomás
A1 - Moghaddam, Zarrin
A1 - Hoxha, Agron
A1 - Felipe-Sotelo, Mónica
A1 - Gutierrez-Merino, Jorge
A1 - Carta, Daniela
T1 - Hierarchically porous copper and gallium loaded sol–gel phosphate glasses for enhancement of wound closure
N2 - In this work, we have developed hierarchically porous phosphate-based glasses (PPGs) as novel materials capable of promoting wound closure and simultaneously delivering antibacterial effects at the glass-biological tissue interface. PPGs are characterised by extended porosity, which enhances the controlled release of therapeutic ions, whilst facilitating cell infiltration and tissue growth. Two series of PPGs in the systems P2O5–CaO–Na2O–CuO and P2O5–CaO–Na2O–Ga2O3 with (CuO and Ga2O3 0, 1, 5 and 10 mol%) were manufactured using a supramolecular sol–gel synthesis strategy. Significant wound healing promotion (up to 97%) was demonstrated using a human ex vivo wound model. A statistically significant reduction of the bacterial strains Staphylococcus aureus and Escherichia coli was observed in both series of PPGs, particularly those containing copper. All PPGs exhibited good cytocompatibility on keratinocytes (HaCaTs), and analysis of PPG dissolution products over a 7-day period demonstrated controlled release of phosphate anions and Ca, Na, Cu, and Ga cations. These findings indicate that Cu- and Ga-loaded PPGs are promising materials for applications in soft tissue regeneration given their antibacterial capabilities, in vitro biocompatibility with keratinocytes and ex vivo wound healing properties at the biomaterial-human tissue interface.
KW - Porous glass
KW - Phosphates
KW - Wound healing materials
KW - Antibacterial
KW - X-ray scattering
KW - MOUSE
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-650867
DO - https://doi.org/10.1039/d5tb01945a
SN - 2050-750X
VL - 13
IS - 48
SP - 15662
EP - 15677
PB - Royal Society of Chemistry (RSC)
AN - OPUS4-65086
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Barik, Birendra Kumar
A1 - Chaurasia, Prashant Kumar
A1 - Kumar, Vikram
A1 - Dak, Gauravkumar Roshanlal
A1 - Goecke, Sven-F.
A1 - De, Amitava
T1 - Probing smartphone-based photogrammetry for part profiling in wire arc directed energy deposition
N2 - Fast dynamic part profiling during wire arc directed energy deposition (DED-Arc) is required to maintain the dimensional consistency of the fabricated part as it is printed over several overlapped tracks and successive layers. The metrology methods such as laser scanning, though accurate, are costly and less flexible for monitoring of layer-wise deposition. Photogrammetry is an optical measurement technique to reconstruct a 3D geometry using a series of 2D images in different orientations to ensure complete coverage. We propose here a novel attempt for rapid dimensioning of the deposit geometry using smartphone-based photogrammetry for wire arc directed energy deposition (DED-Arc). The recorded images from multiple viewpoints are used for feature extraction and matching and triangulation-based 3D reconstruction of the deposit geometry using open-source software. The reconstructed deposit surface is compared with the original CAD geometry to compare the dimensional consistency of parts during the DED-Arc process. Experimental validation is performed on both simple (cuboid) and complex (hollow cylindrical) aluminum geometries, as well as a steel deposit against laser scanning data. The results demonstrate that the smartphone-based photogrammetry can capture the layer-wise geometry variations with the maximum height deviations well within 15% of the laser scan measurements. Although reconstruction and post-processing times are slightly longer in photogrammetry, the approach provides a flexible, accessible, and cost-effective alternative for part profile monitoring.
KW - DED-Arc
KW - Monitoring
KW - Dimensional consistency
KW - 3D reconstruction
KW - Part profiling
PY - 2025
DO - https://doi.org/10.1007/s40194-025-02273-2
SN - 0043-2288
SP - 1
EP - 14
PB - Springer Science and Business Media LLC
AN - OPUS4-65084
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Duarte-Ruiz, D.
A1 - Saßnick, H.-D.
A1 - Ferreira De Araujo, F.
A1 - Gentzmann, Marie
A1 - Huthwelker, T.
A1 - Cocchi, C
T1 - X-ray absorption spectroscopy of scandium oxide polymorphs
N2 - Scandium oxide (Sc2O3) is a rare-earth oxide with significant potential in key technological areas, but due to its limited supply a deep understanding of its characteristics in different crystalline phases is still missing. Here, we present a combined experimental and ab initio X-ray absorption spectroscopy investigation of Sc2O3 focusing on excitations from the O K-edge and the Sc L2,3-edge. While measurements are performed on a cubic sample, the most stable phase under ambient conditions, six different polymorphs are computed, including two high-pressure phases with a trigonal and monoclinic lattice in addition to the cubic phase, as well as three computationally predicted structures. Our analysis of the structural and electronic properties reveals significant similarities between the cubic polymorph and the high-pressure trigonal phase, while the monoclinic crystal exhibits distinct features. The spectra simulated for these similar phases from the solution of the Bethe–Salpeter equation show very good agreement with measurements. Additional comparison with results computed in the independent-particle approximation highlights the dominant role of electron–hole correlations in shaping the absorption features, particularly at the O K-edge, where a common pattern with the features of other sesquioxides is identified. Our findings offer new insight into the spectral fingerprints of Sc2O3 polymorphs, aiding in situ characterization and informing sustainable materials management.
KW - Scandium
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-650806
DO - https://doi.org/10.1039/d5ra06446e
VL - 15
IS - 56
SP - 47814
EP - 47825
AN - OPUS4-65080
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Schilling, Markus
A1 - Marschall, Niklas
A1 - Niebergall, Ute
A1 - Wachtendorf, Volker
A1 - Böhning, Martin
T1 - Unveiling Effects of Biodiesel and Diesel on Environmental Stress Cracking of PE-HD
N2 - The behavior of high‐density polyethylene with respect to resistance against environmental stress cracking (ESC) is usually regarded as an inherent material property being specific for respective types of PE‐HD and tested using standardized methods, conditions, and also standard testing liquids (usually aqueous surfactant solutions). On the other hand, for practical applications the ESC behavior of those polymeric materials, commonly used for pipes or containers, in contact with other liquids (e.g., fuels) is often of relevant interest, but for a reasonable assessment, where consistent benchmark data for a direct comparison are often missing, it is essential to determine the actually prevailing failure mode and classify it related to crack propagation or other mechanisms. Using the well‐established Full Notch Creep Test, which favorably allows for a detailed microscopic fracture surface analysis after failure, the behavior of two typical PE‐HD types for container applications is investigated in biodiesel and diesel and compared to a standard surfactant solution. This enables a clear identification of characteristic features of the interaction of biodiesel and diesel as sorptive fuels in contact with the polymer, revealing the complex interplay of sorption and plasticization as well as ESC inducing effects on PE‐HD, which could be clearly shown for both fuels.
KW - Biodiesel
KW - Confocal laser scanning microscopy (LSM)
KW - Diesel
KW - Full notch creep test (FNCT)
KW - Plasticization
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-650525
DO - https://doi.org/10.1002/pen.70239
SN - 0032-3888
SP - 1
EP - 16
PB - Wiley
CY - Hoboken (NJ)
AN - OPUS4-65052
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Sun, Yijuan
A1 - Pérez-Padilla, Víctor
A1 - Valderrey, Virginia
A1 - Bell, Jérémy
A1 - Gawlitza, Kornelia
A1 - Rurack, Knut
T1 - Ratiometric detection of perfluoroalkyl carboxylic acids using dual fluorescent nanoparticles and a miniaturised microfluidic platform
N2 - The widespread contamination of soil and water with perfluoroalkyl substances (PFAS) has caused considerable societal and scientific concern. Legislative measures and an increased need for remediation require effective on-site analytical methods for PFAS management. Here we report on the development of a green-fluorescent guanidine-BODIPY indicator monomer incorporated into a molecularly imprinted polymer (MIP) for the selective detection of perfluorooctanoic acid (PFOA). Complexation of PFOA by the indicator, which is mediated by concerted protonation-induced ion pairing-assisted hydrogen bonding, significantly enhances fluorescence in polar organic solvents. The MIP forms as a thin layer on silica nanoparticles doped with tris(bipyridine)ruthenium(II) chloride, which provides an orange emission signal as internal reference, resulting in low measurement uncertainties. Using a liquid-liquid extraction protocol, this assay enables the direct detection of PFOA in environmental water samples and achieves a detection limit of 0.11 µM. Integration into an opto-microfluidic system enables a compact and user-friendly system for detecting PFOA in less than 15 minutes.
KW - PFAS
KW - Molecular imprinting
KW - Microfluidics
KW - Fluorescence
KW - Onsite assay
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-650270
DO - https://doi.org/10.1038/s41467-025-66872-9
SN - 2041-1723
VL - 16
IS - 1
SP - 1
EP - 16
PB - Springer Science and Business Media LLC
AN - OPUS4-65027
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Iskhakov, Tagir
A1 - Breese, Philipp
A1 - Altenburg, Simon
A1 - Hilgenberg, Kai
T1 - Numerical and experimental analysis of temperature compensation for eddy current testing during laser powder bed fusion
N2 - The quality of parts produced via laser powder bed fusion (PBF-LB/M) can be affected by microstructural defects inherent to the process. In-situ monitoring technologies are crucial for ensuring consistent component quality. Eddy current testing (ECT) offers a viable method for real time monitoring during the PBF-LB/M build cycle. However, complex temperature fields arising during manufacturing significantly impact electrical conductivity, posing a challenge for ECT accuracy. Thus, precise temperature distribution prediction is essential for reliable flaw detection. This study develops a Finite Element (FE) model to predict the temperature field in multi-part build cycles. Scan vectors are grouped into clusters based on their timestamps, enabling the homogenization of thermal loads from multiple scan vectors. This approach allows for optimizing the trade-off between modeling accuracy and computational efficiency in a multi-part build. The study assesses the prediction accuracy required for ECT and investigates the appropriate level of homogenization needed to achieve it. Model predictions are validated through comparisons with thermography images and thermocouple measurements conducted during the manufacturing of 316L steel components.
KW - PBF-LB/M
KW - FEM
KW - Heat accumulation
KW - Eddy current testing
KW - 316L
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-650165
DO - https://doi.org/10.1007/s40964-025-01429-2
SP - 1
EP - 20
PB - Springer Nature
AN - OPUS4-65016
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Fischer, Tim
A1 - Huber, Norbert
T1 - Microstructure and orientation effects on microcompression-induced plasticity in nanoporous gold
N2 - Understanding the plastic deformation of nanoporous metals requires a detailed examination of their small-scale microstructural features. In this work, we present a computational study of micropillar compression in single crystal nanoporous gold (NPG) using crystal plasticity. This approach enables a systematic investigation of three key microstructural effects, including ligament size (50 ≤ 𝑙 ≤ 400 nm), solid fraction (0.2 ≤ 𝜑 ≤ 0.3), and initial crystal orientation ([001] and [111] ̄ ), on the plastic response far beyond yielding. After validation against experimental data, the study reveals that, in line with the ’smaller is stronger’ trend, besides the yield strength, the strain hardening rate also increases as ligament size decreases. Moreover, the strain hardening rate follows a power-law scaling with solid fraction, similar to the yield strength. The analysis of two distinct crystal orientations presents findings contrasting with previous assumptions. While the yielding onset remains orientation-independent, as expected, an increase in the strain hardening rate emerges for the harder [11-1] orientation with continued compression. An effect that becomes more pronounced with increasing solid fraction and decreasing ligament size. Under these conditions, harder orientations also amplify local stress heterogeneity. Notably, the stress distribution in NPG is nearly twice as wide as that observed in the single crystal bulk material (𝜑 = 1.0). Compared to the crystal plasticity approach, traditional isotropic plasticity predicts more uniform local stress fields.
KW - Nanoporous gold
KW - Microcompression
KW - Plasticity
KW - Size effect
KW - Micromechanics
PY - 2026
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-650137
DO - https://doi.org/10.1016/j.actamat.2025.121798
SN - 1359-6454
VL - 304
SP - 1
EP - 13
PB - Elsevier Inc.
AN - OPUS4-65013
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Kozachynskyi, Volodymyr
A1 - Staubach, Dario
A1 - Esche, Erik
A1 - Biegler, Lorenz T.
A1 - Repke, Jens-Uwe
T1 - Parameter estimation in dynamic multiphase liquid–liquid equilibrium systems
N2 - Modeling dynamic systems with a variable number of liquid phases is a challenging task, especially in scenarios where the model is designed for optimization tasks such as parameter estimation. Although there exist methods to model the appearance and disappearance of liquid phases in dynamic systems, they usually require integer variables. In this work, the smoothed continuous approach (SCA) is developed for use with a large number of solvers, since it relies only on continuous variables. To demonstrate the applicability of the new method, the SCA is then applied to model the batch esterification of acetic acid with 1-propanol to water and propyl acetate, and to estimate the reaction parameters. Since the mixture may separate into two liquid phases during the course of the reaction, the parameters are estimated with information on the liquid compositions of both separated liquid phases, which improves the accuracy of the parameter estimates and opens new possibilities for optimal experimental design.
KW - Parameter Estimation
KW - Uncertainty
KW - Dynamic Modeling
PY - 2026
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-650059
DO - https://doi.org/10.1016/j.compchemeng.2025.109485
SN - 0098-1354
VL - 206
SP - 1
EP - 16
PB - Elsevier Ltd.
AN - OPUS4-65005
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Tavernaro, Isabella
A1 - Rajotte, Isabelle
A1 - Thibeault, Marie-Pier
A1 - Sander, Philipp C.
A1 - Kodra, Oltion
A1 - Lopinski, Gregory
A1 - Radnik, Jörg
A1 - Johnston, Linda J.
A1 - Brinkmann, Andreas
A1 - Resch-Genger, Ute
T1 - Quantifying surface groups on aminated silica nanoparticles of different size, surface chemistry, and porosity with solution NMR, XPS, optical assays, and potentiometric titration
N2 - We assessed the quantification of surface amino functional groups (FGs) for a large set of commercial and custom-made aminated silica nanoparticles (SiO2 NPs) with sizes of 20–100 nm, prepared with different sol–gel routes, different amounts of surface amino FGs, and different porosity with four methods providing different, yet connected measurands in a bilateral study of two laboratories, BAM and NRC, with the overall aim to develop standardizable measurements for surface FG quantification. Special emphasis was dedicated to traceable quantitative magnetic resonance spectroscopy (qNMR) performed with dissolved SiO2 NPs. For the cost efficient and automatable screening of the amount of surface amino FGs done in a first step of this study, the optical fluorescamine assay and a potentiometric titration method were utilized by one partner, i.e., BAM, yielding the amount of primary amino FGs accessible for the reaction with a dye precursor and the total amount of (de)protonatable FGs. These measurements, which give estimates of the minimum and maximum number of surface amino FGs, laid the basis for quantifying the amount of amino silane molecules with chemo-selective qNMR with stepwise fine-tuned workflows, involving centrifugation, drying, weighting, dissolution, measurement, and data evaluation steps jointly performed by BAM and NRC. Data comparability and relative standard deviations (RSDs) obtained by both labs were used as quality measures for method optimization and as prerequisites to identify method-inherent limitations to be later considered for standardized measurement protocols. Additionally, the nitrogen (N) to silicon (Si) ratio in the near-surface region of the SiO2 NPs was determined by both labs using X-ray photoelectron spectroscopy (XPS), a well established surface sensitive analytical method increasingly utilized for microparticles and nano-objects which is currently also in the focus of international standardization activities. Overall, our results underline the importance of multi-method characterization studies for quantifying FGs on NMs involving at least two expert laboratories for effectively identifying sources of uncertainty, validating analytical methods, and deriving NM structure–property relationships.
KW - Advanced Materials
KW - Amino Groups
KW - Calibration
KW - Characterization
KW - Functional groups
KW - Method Comparison
KW - Nano Particle
KW - Validation
KW - XPS
KW - Optical Assay
KW - Quantification
KW - Surface Analysis
KW - Reference Materials
KW - Synthesis
KW - Fluorescence
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-649992
DO - https://doi.org/10.1039/d5na00794a
VL - 7
IS - 21
SP - 6888
EP - 6900
PB - Royal Society of Chemistry
AN - OPUS4-64999
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Tehranchi, Ali
A1 - Hickel, Tilmann
A1 - Neugebauer, J.
T1 - Hydrogen enhanced dislocation cross-slip in polycrystalline nickel
N2 - Hydrogen embrittlement (HE), degradation of the mechanical properties of metals due to the presence of hydrogen, is a persistent problem that has been attracting the attention of the material science community for about fifteen decades. Extensive experimental observations indicate the presence of nanovoids and the increase of free volume at the grain boundaries in hydrogen contaminated metals. This rate-dependent phenomenon motivates theoretical investigations of the underlying mechanisms. Here, a hydrogen enhanced cross-slip (HECS) mechanism in the close vicinity of the grain boundaries is demonstrated by direct molecular dynamics simulations and theoretical calculations. To this end, the interaction of screw dislocations with a variety of symmetric tilt grain boundaries in H-charged and H-free bicrystalline nickel is examined. The presence of segregated H atoms at the grain boundaries induces a stress field in their vicinity, and thus,- the barrier for cross-slip of screw dislocations considerably decreases. The enhanced cross-slip of dislocations facilitates the formation of jogs on bowedout dislocations. These jogs can form vacancies during the glide process. This mechanism of defect production shows nanoscale evidence of enhanced vacancy formation and subsequent increase in the free volume along the grain boundaries in the presence of H.
KW - Hydrogen embrittlement
KW - Dislocation
KW - Grain boundary
KW - Void formation
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-649858
DO - https://doi.org/10.1103/7l8f-3fbm
SN - 2475-9953
VL - 9
IS - 12
SP - 1
EP - 16
PB - American Physical Society (APS)
AN - OPUS4-64985
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Parthasarathy, Thiyagaraj
A1 - Bhowmik, Aritra
A1 - Bhattacharya, Biswajit
A1 - Mishra, Manish Kumar
A1 - Ghosh, Soumyajit
T1 - Reversible twisting-induced crystalline–polycrystalline transformation in cyanoacrylate crystals
N2 - Centimeter-long single crystals of cyanoacrylate derivatives exhibit 1D elasticity, 2D plasticity and can be manually twisted and untwisted without any visible fractures, demonstrating exceptional mechanical flexibility and structural resilience.
KW - Weak intermolecular interactions
KW - Crystals
KW - Mechanical flexiblity
KW - Micro-focus Raman spectroscopy
KW - Single-crystal X-ray diffraction
PY - 2025
DO - https://doi.org/10.1039/D5CC05852J
SN - 1359-7345
SP - 1
EP - 4
PB - Royal Society of Chemistry (RSC)
AN - OPUS4-64962
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Moschetti, Michael
A1 - Lemiasheuski, Anton
A1 - Bajer, Evgenia
A1 - Porohovoj, Ilja
A1 - Göbel, Artur
A1 - Pfennig, Anja
A1 - Bettge, Dirk
A1 - Maaß, Robert
T1 - Robot-Assisted Automated Serial-Sectioning and Imaging for 3D Microstructural Investigations
N2 - Comprehensive materials characterization requires precise structural knowledge beyond traditional methods. The robot-assisted automated serial-sectioning and imaging (RASI) platform, developed at BAM, provides automated 3D metallographic reconstructions, enabling detailed microstructural analysis of technical materials. This article showcases RASI’s capabilities through several case studies, including characterization of lamellar graphite in gray cast iron, porosity in sintered steel, melt pool morphology in additively manufactured 316L stainless steel, defects in metal-ceramic packages, and oxidation behavior in an Fe-12Cr-2Co alloy. By automating sample handling, mechanical serial-sectioning, etching, and optical imaging, RASI captures complex 3D microstructures with high precision and at high speed. This approach reveals microstructural features missed by 2D analysis, even using stereological assumptions. Specifically, statistically rare and large microstructural features, such as secondary phases or interconnected pores, become apparent, which 2D methods cannot reveal. The generated volumetric data can furthermore serve as quantitative reference datasets (i.e., the ‘ground truth’) essential for validating other 3D characterization techniques and computational models, helping to bridge the gap between predictive simulations and real-world material behavior. RASI’s modular design makes it a flexible tool that provides realistic 3D insights into materials, which can be used for advanced materials research, process optimization, and quality control.
KW - 3D metallography
KW - Automated microstructure characterization
KW - Image segmentation
KW - Mechanical polishing based serial-sectioning
KW - Process-microstructure-property relationships
KW - Quantitative microstructure
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-649614
DO - https://doi.org/10.1002/adem.202502202
SN - 1527-2648
VL - 28
IS - 2
SP - 1
EP - 14
PB - Wiley-VCH GmbH
AN - OPUS4-64961
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Braymer, Joseph J.
A1 - Knauer, Lukas
A1 - Crack, Jason C.
A1 - Oltmanns, Jonathan
A1 - Heghmanns, Melanie
A1 - Soares, Jéssica C.
A1 - Le Brun, Nick E.
A1 - Schünemann, Volker
A1 - Kasanmascheff, Müge
T1 - Yeast [FeFe]-hydrogenase-like protein Nar1 binds a [2Fe–2S] cluster
N2 - Nar1 is an essential eukaryotic protein proposed to function as an iron–sulphur (Fe/S) cluster trafficking factor in the cytosolic iron–sulphur protein assembly (CIA) machinery. However, such a role has remained unclear due to difficulties in purifying adequate amounts of cofactor-bound protein. The [FeFe]-hydrogenase-like protein has two conserved binding sites for [4Fe–4S] clusters but does not show hydrogenase activity in vivo due to the lack of an active site [2Fe]H cofactor. Here, we report a new preparation procedure for Nar1 that facilitated studies by UV-vis, EPR, and Mössbauer spectroscopies, along with native mass spectrometry. Nar1 recombinantly produced in E. coli contained a [4Fe–4S] cluster, bound presumably at site 1, along with an unexpected [2Fe–2S] cluster bound at an unknown site. Fe/S reconstitution reactions installed a second [4Fe–4S] cluster at site 2, leading to protein with up to three Fe/S cofactors. It is proposed that the [2Fe–2S] cluster occupies a cavity in Nar1 that is filled by the [2Fe]H cofactor in [FeFe]-hydrogenases. Strikingly, two of the Fe/S clusters were rapidly destroyed by molecular oxygen, linking Nar1 oxygen sensitivity in vitro to phenotypes observed previously in vivo. Our biochemical results, therefore, validate a direct link between cellular oxygen concentrations and the functioning of the CIA pathway. These advances also now allow for the pursuit of in vitro Fe/S cluster transfer assays, which will shed light on Fe/S trafficking and insertion by CIA components.
KW - Biocorrosion
KW - Hydrogenases
KW - Metalloprotein
KW - Yeast
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-649463
DO - https://doi.org/10.1039/D5SC04860E
SN - 2041-6520
VL - 17
IS - 1
SP - 373
EP - 380
PB - Royal Society of Chemistry (RSC)
AN - OPUS4-64946
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Bachmann, Marcel
A1 - Putra, Stephen Nugraha
A1 - Yang, Fan
A1 - Meng, Xiangmeng
A1 - Pusbatzkies, Pablo
A1 - Rethmeier, Michael
T1 - Elucidation of the laser beam energy attenuation by the vapor plume formation during high-power laser beam welding
N2 - In high-power laser beam welding, a common phenomenon is the formation of a keyhole caused by the rapid evaporation of the material. Under atmospheric pressure, this evaporation generates a vapor plume that interacts with the laser beam, leading to energy attenuation and scattering of the laser radiation along its path. These interactions affect the stability of the process and the overall weld quality. This study investigates the influence of the vapor plume on the weld pool and keyhole dynamics during high-power laser beam welding of AlMg3 aluminum alloy through experimental and numerical approaches. The primary goal is to identify key vapor plume characteristics, particularly its length fluctuations, and to improve the accuracy of the numerical models. To achieve this, an algorithm was developed for the automated measurement of the vapor plume length using high-speed imaging and advanced data processing techniques. The measured plume length is then used to estimate additional vapor heating and laser energy attenuation using the Beer–Lambert law. A refined numerical CFD model, incorporating 3D transient heat transfer, fluid flow, and ray tracing, was developed to evaluate the vapor plume’s impact. Results show that already the time-averaged plume length effectively captures its transient influence and aligns well with experimental weld seam geometries. Additionally, energy scattering and absorption caused by the vapor plume led to a wider weld pool at the top surface. The study also shows an increased percentage of keyhole collapses due to the reduced laser power absorption at the keyhole bottom, further highlighting the importance of accurately modeling vapor plume effects.
T2 - International Congress of Applications of Lasers & Electro-Optics 2025
CY - Orlando, USA
DA - 12.10.2025
KW - Laser beam welding
KW - Vapor plume formation
KW - Weld pool
KW - Keyhole dynamics
KW - Numerical modeling
PY - 2026
DO - https://doi.org/10.2351/7.0001863
SN - 1938-1387
IS - 38
SP - 012001-1
EP - 012001-9
PB - Laser Institute of America
AN - OPUS4-64949
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Kleinbub, Sherin
A1 - Braymer, Joseph J
A1 - Pfeiffer, Friedhelm
A1 - Dyall-Smith, Mike
A1 - Spirgath, Kristin
A1 - Alfaro-Espinoza, Gabriela
A1 - Koerdt, Andrea
T1 - From Genes to Black Rust: Genomic insights into corrosive methanogens
N2 - Within the past ten years, genetic evidence has been increasing for the direct role that microbes play in microbiologically influenced corrosion (MIC), also known as biocorrosion or biodeterioration. One prominent example is the correlation between the corrosion of metal and the presence of genes encoding an extracellular [NiFe]-hydrogenase (MIC hydrogenase) in the methanogenic archaeon, Methanococcus maripaludis. In this study, DNA sequencing and bioinformatic analysis were used to classify the MIC hydrogenase as belonging to a core set of genes, the MIC core, found so far in Methanococci and Methanobacteria classes of methanogens. Genetic evidence is provided for the mobilization of the MIC core via multiple mechanisms, including a horizontal gene transfer event from Methanobacteria to Methanococci and a newly described MIC-transposon. A detailed comparison of M. maripaludis genomes further pointed to the relevance that cell wall modifications involving N-glycosylation of S-layer proteins and the MIC hydrogenase likely play in methanogen-induced MIC (Mi-MIC). Microscopic analysis of corrosive methanogens encoding the MIC core indicated that Methanobacterium-affiliated strain IM1 can form extensive biofilms on the surface of corrosion products whereas individual cells of M. maripaludis Mic1c10 were only found localized to crevices in the corrosion layer. An updated model of Mi-MIC involving two modes of action is presented, which predicts that the propensity of cells to adhere to iron surfaces directly influences the rate of corrosion due to the localization of the MIC hydrogenase at the metal-microbe interface.
KW - Biocorrosion
KW - Hydrogenases
KW - Metalloprotein
KW - Microbes
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-649425
DO - https://doi.org/10.1093/femsmc/xtaf018
SN - 2633-6685
VL - 6
SP - 1
EP - 19
PB - Oxford University Press (OUP)
AN - OPUS4-64942
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Heinekamp, Christian
A1 - Palmer, Tahlia M.
A1 - Al‐Sabbagh, Dominik
A1 - May, Anastasia
A1 - Prinz, Carsten
A1 - Michalik, Stefan
A1 - Michalchuk, Adam A. L.
A1 - Emmerling, Franziska
T1 - Pre‐Activation as a Route for Tuning the Kinetics of Mechanochemical Transformations
N2 - Learning to control reaction kinetics is essential for translating any chemical technology into real‐world application. Based on time‐resolved in situ powder X‐ray diffraction data, we demonstrate the opportunity to tune mechanochemical reaction rates through the pre‐activation of the starting reagents. For three model co‐crystal systems, the pre‐activation of the most stable reagent yields up to a ca 10‐fold increase in the reaction rate, whilst negligible kinetic enhancement is seen when the less stable reagent is pre‐activated. Moreover, we demonstrate how the polymorphic outcome of mechano‐co‐crystallization is also sensitive to pre‐activation of the starting material. Our results suggest that reproducibility of mechanochemical processes requires detailed understanding over the origin and history of reagent powders, whilst providing a new conceptual framework to design and control mechanochemical reactions.
KW - Mechanochemistry
KW - In situ synthesis
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-649409
DO - https://doi.org/10.1002/anie.202516632
SN - 1433-7851
SP - 1
EP - 7
PB - Wiley VHC-Verlag
AN - OPUS4-64940
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Hahn, Sarah‐K.
A1 - Gnutzmann, Tanja
A1 - Meinert, Marion
A1 - Hofmann-Böllinghaus, Anja
A1 - Oberhagemann, Dirk
A1 - Krause, Ulrich
T1 - Incipient Fires—Definition, Detection and Extinguishment by Laypersons
N2 - The earlier a fire is noticed, the less developed it is and the easier it can be prevented respectively stopped, even by laypersons. Within the research project ‘TEBRAS’ the incipient phase of fires was investigated in detail. In the course of the project, it became apparent that the definition of what exactly the incipient phase of a fire encompasses is not definite and depends on the disciplines dealing with the subject ‘fire’. Based on the results of a literature review, an inquiry under experts and laypersons as well as practical fire tests a definition for the phenomenon of the incipient fire was developed which divides it into four phases. Driving key factors for each phase are identified considering the main parameters to detect and extinguish the fire.
KW - Developing fires
KW - Development of fires
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-649310
DO - https://doi.org/10.1002/fam.70025
SN - 0308-0501
VL - 50
IS - 1
SP - 3
EP - 10
PB - Wiley
AN - OPUS4-64931
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Eiby, Simon H. J.
A1 - Tobler, Dominique J.
A1 - Voigt, Laura
A1 - van Genuchten, Case M.
A1 - Bruns, Stefan
A1 - Jensen, Kirsten M. Ø.
A1 - Stawski, Tomasz M.
A1 - Wirth, Richard
A1 - Benning, Liane G.
A1 - Stipp, S. L. S.
A1 - Dideriksen, Knud
T1 - Topotactic Redox-Catalyzed Transformation of Iron Oxides
N2 - Fe oxides frequently exist in systems containing both Fe(II) and Fe(III), where their reactivity is enhanced and where interfacial electron transfer from Fe(II) adsorbed to the solids causes the transformation of metastable Fe oxides. Here, we contribute to the understanding of such a transformation using green rust sulfate (GR) synthesized in the presence or absence of Si or Al as the starting material. X-ray diffraction (XRD) and pair distribution function (PDF) analyses showed that (i) rapid oxidation by Cr(VI) caused transformation to Fe oxyhydroxide with short-range ordering, with a pattern identical to that reported for the oxidation of isolated GR hydroxide sheets (i.e., a trilayer of Fe with both edge- and corner-sharing polyhedra) and (ii) goethite formed at the expense of the short-range-ordered Fe oxyhydroxide when residual Fe(II) was present, particularly when Si was absent. This is consistent with the Fe(II)-catalyzed transformation of the short-range-ordered Fe oxyhydroxide. High-resolution transmission electron microscopy (TEM) showed that the two oxidation products coexisted within individual particles and that particle shape and the crystallographic orientation of both products were inherited from the original GR crystals, i.e., they had formed through topotactic transformation. We interpret that the structural reorganization to goethite occurred either in response to distortions caused by polaron movement or as a result of electron transfer reactions occurring at internal surfaces. Once nucleated, goethite growth can be sustained by dissolution–reprecipitation.
KW - Iron oxide
KW - Electron microscopy
KW - Pair distribution funvtion
KW - Total scattering
PY - 2025
DO - https://doi.org/10.1021/acsearthspacechem.5c00220
SN - 2472-3452
SP - 1
EP - 12
PB - American Chemical Society (ACS)
AN - OPUS4-64924
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Shenton, Martyn James
A1 - Liebner, Christian
A1 - Wanrooij, Jeroen Robert
T1 - Basic design principles of flame arrestors for decomposable gases
N2 - Flame Arrestors are safety relevant devices in chemical plants. If despite all the safety measures an explosion is initiated, they prevent damage, fatalities, and complete losses of production plants by hindering the explosion from propagating throughout the complete installation. Depending on the explosion propagation characteristics of the gas or gas mixture in question, the flame arrestors need to fulfil certain different operating requirements. In case of decomposable gases like acetylene and tetrafluoroethylene in some respect it might become necessary to violate the advice given in the standards concerning flame arrestor’s design.
KW - Decomposition
KW - Tetrafluoroethylene
KW - Flame arrestor
KW - Explosion
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-648995
DO - https://doi.org/10.1016/j.psep.2025.107289
SN - 0957-5820
VL - 200
SP - 1
EP - 9
PB - Elsevier Ltd.
AN - OPUS4-64899
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - CONF
A1 - Schackmann, Oliver
A1 - Márquez Reyes, Octavio
A1 - Memmolo, Vittorio
A1 - Lozano, Daniel
A1 - Prager, Jens
A1 - Moll, Jochen
A1 - Kraemer, Peter
T1 - Intelligent damage detection in composite pressure vessels under varying environmental and operational conditions
N2 - Despite proven approaches available in the literature, structural health monitoring by ultrasonic guided waves under varying environmental and operational conditions is still challenging. The use of machine learning approaches is discussed in this work, considering the complex problem of experimental damage detection under varying load conditions in a composite overwrapped pressure vessel for hydrogen storage. Specifically, unsupervised methods originally developed for image and time series classification are combined with ensemble voting to conceive reliable damage detection technique. This enables the effective combination of the predictions of multiple transducer pairs, even with a limited number of strong individual classifiers. A performance demonstration of the technique is presented using a real damage scenario dataset.
T2 - IEEE 12th International Workshop on Metrology for AeroSpace (MetroAeroSpace)
CY - Napoli, Italy
DA - 18.06.2025
KW - Guided ultrasonic waves
KW - Structural health monitoring
KW - Artificial intelligence
KW - Hydrogen storage
PY - 2025
SN - 979-8-3315-0152-5
DO - https://doi.org/10.1109/MetroAeroSpace64938.2025.11114628
SN - 2575-7490
SP - 608
EP - 613
AN - OPUS4-64894
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Lu, Xin
A1 - Christensen, J.
A1 - Thomas, P.
A1 - Failleau, G.
A1 - Eisermann, R.
A1 - Hicke, Konstantin
A1 - Krenek, S.
T1 - Fiber artefact for performance evaluation of time domain distributed fiber sensor interrogators
N2 - Distributed fiber sensing (DFS) is a powerful tool for structural health monitoring (SHM), allowing continuous and seamless measurements of temperature and strain along the fiber. The spatial accuracy of a DFS interrogator, as a key parameter of the system, is vital for precisely locating structural perturbations or defects. Its evaluation and calibration methods however attract little attention. A fiber optic artefact based on a fiber loop is developed to evaluate distance accuracy and signal quality for both self-developed and commercial sensing systems based on Rayleigh, Raman, and Brillouin scattering effects, respectively. The measured distance is corrected to remove the influence of the pulse width. Additionally, the obtained SNRs are compared for different loop trips and pulse widths, assisting to assess signal quality for SHM applications.
KW - Structural health monitoring
KW - Distributed fiber sensing
KW - Distributed temperature sensing
KW - Fiber artefact
KW - Spatial correction
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-648966
DO - https://doi.org/10.1088/1361-6501/ae214e
VL - 36
IS - 11
SP - 1
EP - 10
PB - IOP Publishing Ltd
CY - Bristol, UK
AN - OPUS4-64896
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Risse, Kerstin
A1 - Nikiforidis, Constantinos V.
A1 - Morris, Imogen
A1 - Thünemann, Andreas
A1 - Drusch, Stephan
T1 - Regulating the heat stability of protein-phospholipid stabilised oil-water emulsions by changing the phospholipid headgroup or fatty acyl chain
N2 - Stabilising oil–water emulsions remains a central challenge across food, pharmaceutical and cosmetic applications. β-lactoglobulin (β-LG) and phospholipids (PLs) can act synergistically at oil-water interfaces: PLs adsorb rapidly, while β-LG forms a viscoelastic protein network that enhances long-term stability. However, competitive adsorption between proteins and PLs can disrupt interfacial structure. In addition, for commercial production, emulsions are often exposed to heat treatment during or after manufacture, for instance due to food safety requirements. Yet, the combined effects of PL structure and heat treatment on interfacial organisation and emulsion stability remain poorly understood.
Here we show that PL saturation and processing temperature jointly determine interfacial organisation, protein-PL interactions and emulsion stability. Using β-LG-PL emulsions, we combined ζ-potential measurements, small-angle X-ray scattering (SAXS), micro-differential scanning calorimetry (μDSC), X-ray diffraction and confocal laser scanning microscopy (CLSM) to link interfacial composition with functional stability.
Below the β-LG denaturation temperature (≤75 °C), saturated PLs promoted partial unfolding of β-LG at the interface without displacement, producing mixed protein-PL networks with enhanced viscoelasticity and stability. Unsaturated PLs displaced β-LG, yielding less elastic interfaces and promoting protein aggregation in the bulk. At ≥75 °C, increased hydrophobicity intensified protein-protein interactions irrespective of PL type.
Our findings reveal that saturated PLs shift the β-LG denaturation temperature upward by restricting molecular mobility, without preventing quaternary-level protein-protein interactions. Thermal denaturation, regardless of PL type, promoted interfacial multilayer formation at 90 °C. These results provide a mechanistic framework for tailoring emulsion stability via lipid saturation and processing temperature.
KW - Small-angle X-ray scattering
KW - SAXS
KW - Nanostructure
KW - Reference Method
KW - Colloid
KW - Nanoparticle
PY - 2026
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-648956
DO - https://doi.org/10.1016/j.jcis.2025.139530
SN - 0021-9797
VL - 705
SP - 1
EP - 25
PB - Elsevier Inc.
AN - OPUS4-64895
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Hoque, Maroof Arshadul
A1 - Sommerfeld, Thomas
A1 - Lisec, Jan
A1 - Das, Prasenjit
A1 - Prinz, Carsten
A1 - Heinekamp, Christian
A1 - Stolar, Tomislav
A1 - Etter, Martin
A1 - Rosenberger, David
A1 - George, Janine
A1 - Bhattacharya, Biswajit
A1 - Emmerling, Franziska
T1 - Mechanochemically Synthesized Covalent Organic Framework Effectively Captures PFAS Contaminants
N2 - Per‐ and polyfluoroalkyl substances (PFAS) are persistent environmental contaminants that pose significant health risks, prompting urgent efforts to develop effective removal methods and adsorbers. Covalent organic frameworks (COFs) are metal‐free adsorbers with high stability and tunable porosity. A highly crystalline COF is synthesised mechanochemically using 1,3,5‐tris(4‐aminophenyl)benzene (TAPB) and 1,3,5‐triformylbenzene (TFB). The formation dynamics are monitored in real time with time‐resolved in situ synchrotron X‐ray diffraction. The TAPB‐TFB COF demonstrates good efficiency in eliminating PFAS from water. Perfluorooctanoic acid (PFOA) and perfluorooctanesulfonic acid (PFOS) are effectively extracted, and most of the adsorption occurred within the first 10 min. Additionally, X‐ray photoelectron spectroscopy, Fourier transform infrared spectroscopy, and DFT calculations are employed to elucidate the molecular interactions between PFAS and the COF framework. The rapid and efficient removal of PFAS makes TAPB‐TFB COF a promising material for water treatment applications.
KW - COFs
KW - Ball-milling
KW - PFAS
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-648712
DO - https://doi.org/10.1002/smll.202509275
SN - 1613-6810
VL - 21
IS - 44
SP - 1
EP - 8
PB - Wiley
AN - OPUS4-64871
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Matiushkina, Anna
A1 - Abram, Sarah-Luise
A1 - Tavernaro, Isabella
A1 - Richstein, R.
A1 - Reithofer, M. R.
A1 - Andresen, Elina
A1 - Michaelis, Matthias
A1 - Koch, Matthias
A1 - Resch-Genger, Ute
T1 - Quantifying Citrate Surface Ligands on Iron Oxide Nanoparticles with TGA, CHN Analysis, NMR, and RP-HPLC with UV Detection
N2 - Although citrate is frequently used as a surface ligand for nanomaterials (NMs) such as metal, metal oxide, and lanthanide-based NMs in hydrophilic environments due to its biocompatibility and simple replacement by other more strongly binding ligands in postsynthetic surface modification reactions, its quantification on NM surfaces has rarely been addressed. Here, we present a multimethod approach for citrate quantification on iron oxide nanoparticles (IONPs) broadly applied in the life and material sciences. Methods explored include thermogravimetric (TGA) and elemental (CHN) analysis, providing citrate-nonspecific information on the IONP coating, simple photometry, and citrate-selective reversed-phase high-performance liquid chromatography (RP-HPLC) with absorption (UV) detection and quantitative nuclear magnetic resonance spectroscopy (qNMR). Challenges originating from the strongly absorbing magnetic NM and paramagnetic iron species interfering with optical and NMR Methods were overcome by suitable sample preparation workflows. Our multimethod approach to citrate quantification highlights the advantages of combining specific and unspecific methods for characterizing NM Surface chemistry and method cross-validation. It also demonstrates that chemically nonselective measurements can favor an overestimation of the amount of a specific surface ligand by signal contributions from molecules remaining on the NM surface, e.g., from particle synthesis, such as initially employed ligands and/or surfactants. Our results emphasize the potential of underexplored selective RPHPLC for quantifying ligands on NMs, which does not require a multistep sample preparation workflow such as qNMR for many NMs and provides a higher sensitivity. These findings can pave the road to future applications of versatile HPLC methods in NM characterization.
KW - Advanced material
KW - Functional group
KW - Iron oxide
KW - Ligand
KW - Nano
KW - Particle
KW - Quantification
KW - Surface analysis
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-648632
DO - https://doi.org/10.1021/acs.analchem.5c03024
SN - 0003-2700
VL - 97
IS - 36
SP - 19627
EP - 19634
PB - American Chemical Society (ACS)
CY - Washington, DC
AN - OPUS4-64863
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Denora, Isabella
A1 - Clute, Clara
A1 - Murillo, Natalia Cano
A1 - Theiler, Geraldine
A1 - Balasooriya, Winoj
A1 - Kaiser, Andreas
A1 - Fasching, Michael
A1 - Schwarz, Thomas
A1 - Marano, Claudia
T1 - A study on the mechanical behaviour of carbon black and Struktosil-filled NBR compounds for hydrogen applications
N2 - This study investigates the effect of the addition of a 2D filler (Struktosil) to a carbon black-filled acrylonitrile butadiene rubber, developed for seals in hydrogen applications. Several characterization methods have been adopted. The addition of Struktosil increases the stiffness of the material up to a strain of about 100%, to a lesser extent in presence of a plasticizer. The dissipative response of the material is increased by Struktosil addition and decreased in presence of the plasticizer. Concerning fracture behaviour, the crack initiation and Rapid Gas Decompression (RGD) resistance were not affected by the addition of Struktosil but decreased in presence of plasticizer. Furthermore, the addition of Struktosil had a positive effect on crack propagation resistance. The effects of pressurized hydrogen exposure on physical-mechanical properties were also evaluated and correlated with the results. A correlation between fracture toughness and RGD resistance has been also attempted.
KW - Acrylonitrile Butadiene rubber
KW - Fracture mechanics
KW - 2D filler
KW - High-pressure hydrogen
KW - Rapid gas decompression
PY - 2025
UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-648285
DO - https://doi.org/10.1016/j.ijhydene.2025.03.122
SN - 0360-3199
VL - 118
SP - 407
EP - 416
PB - Elsevier Ltd.
AN - OPUS4-64828
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -
TY - JOUR
A1 - Barik, Birendra Kumar
A1 - Chaurasia, Prashant Kumar
A1 - De, Amitava
T1 - Rapid estimation of temperature field and bead profile for wire arc directed energy deposition using an analytical heat conduction model
N2 - A prior estimation of the temperature field and bead profile can help fabricate dimensionally consistent and structurally sound parts using wire arc directed energy deposition (DED-Arc). We present here a three-dimensional analytical heat transfer model with a volumetric heat source to compute the transient temperature field and melt pool dimensions for DED-Arc. The analytical model considers the thermal conductivity and volumetric heat capacity as a linear function of temperature. In contrast to assuming a pre-defined deposited track profile, the same is scaled from the analytically computed melt pool dimensions into the substrate. The computed deposit profiles of single and multiple tracks and layers are validated extensively with the corresponding experimentally measured results for a range of DED-Arc process conditions.
KW - Additive manufacturing
KW - Analytical model
KW - Heat conduction analysis
KW - Volumetric heat source
KW - Deposit profile
PY - 2025
DO - https://doi.org/10.1177/13621718251398070
SN - 1362-1718
SP - 1
EP - 14
PB - SAGE Publications
AN - OPUS4-64836
LA - eng
AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany
ER -