TY - JOUR A1 - Nicolai, Marcel A1 - Bulling, Jannis A1 - Narayanan, M.M. A1 - Zeipert, Henning A1 - Prager, Jens A1 - Henning, Bernd T1 - Dynamic interface behavior in coupled plates: Investigating Lamb wave mode repulsion with a spring-based model N2 - This study investigates the phenomenon of mode repulsion in Lamb waves propagating through two coupled plates with an elastic interface. Using a spring-based coupling model and the Scaled Boundary Finite Element Method, the dispersion curves of the coupled system are analyzed under various interface conditions—weak coupling, sliding boundary, and perfect coupling. This research highlights how the mechanical stiffness of the interface influences the separation of modes and the emergence of repulsion regions. A novel focus on interface displacements reveals a unique dynamic behavior within the repulsion regions, driven by in-phase and out-of-phase oscillations of the coupled plates. The findings provide a physically grounded explanation of mode repulsion, linking it to the strain patterns in the interface. This insight lays the theoretical groundwork for future applications in material characterization and non-destructive evaluation, enabling more precise selection of Lamb wave modes for scientific and industrial purposes. KW - Lamb waves KW - Mode repulsion KW - Coupled plates KW - Elastic interface KW - Dispersion curves PY - 2026 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-642245 DO - https://doi.org/10.1016/j.ultras.2025.107799 SN - 0041-624X VL - 158 SP - 1 EP - 9 PB - Elsevier BV AN - OPUS4-64224 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - INPR A1 - Corrao, Elena A1 - Gouasmi, Meriem A1 - Sordello, Fabrizio A1 - Hodoroaba, Vasile-Dan A1 - Radnik, Joerg A1 - Maurino, Valter A1 - Pellegrino, Francesco T1 - Tailoring TiO2 Morphology and Surface Chemistry for Optimized Photocatalytic Activity in rGO Hybrids N2 - TiO2–reduced graphene oxide (rGO) hybrids were investigated in this study to elucidate how TiO2 morphology and surface chemistry govern charge-transfer pathways and, ultimately, reaction selectivity. Three anatase TiO2 nanostructures were compared: bipyramids predominantly exposing {101} facets (bipy) and two nanosheet-like samples enriched in {001} facets, either fluorinated (n-sh) or thermally defluorinated and {101}-enriched (n-sh_873K). A constant rGO loading (2 wt.%) was introduced via in situ hydrazine reduction of graphene oxide in the presence of TiO2. Photocatalytic activity was evaluated under Xe-lamp irradiation in two model reactions probing oxidative and reductive pathways: phenol degradation and H2 evolution using formic acid as a scavenger. rGO systematically enhanced phenol degradation for all morphologies, with bipy+rGO showing the highest activity. In contrast, H2 evolution was consistently suppressed upon rGO incorporation across all TiO2 samples, although the bipyramidal morphology remained the most active within each series. These results highlight that facet exposure and surface functionalization dictate the beneficial or detrimental role of rGO depending on the targeted photocatalytic pathway. KW - Photocatalytic activity KW - Reduced graphene oxide KW - TiO2 KW - Surface chemistry KW - 2D materials PY - 2026 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-653476 DO - https://doi.org/10.26434/chemrxiv-2026-65917 SP - 1 EP - 12 PB - American Chemical Society (ACS) AN - OPUS4-65347 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 - 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 - Rodriguez, Santiago A1 - Kumanski, Sylvain A1 - Ayed, Zeineb A1 - Fournet, Aurélie A1 - Bouanchaud, Charlène A1 - Sagar, Amin A1 - Allemand, Frédéric A1 - Baulin, Vladimir A. A1 - Resch‐Genger, Ute A1 - Cortés, Juan A1 - Sibille, Nathalie A1 - Chirot, Fabien A1 - Wegner, Karl David A1 - Antoine, Rodolphe A1 - Le Guével, Xavier A1 - Bernadó, Pau T1 - Programming the Optoelectronic Properties of Atomically Precise Gold Nanoclusters Using the Conformational Landscape of Intrinsically Disordered Proteins N2 - The rational design of hybrid nanomaterials with precisely controlled properties remains a central challenge in materials science. While atomically precise gold nanoclusters (Au‐NCs) offer molecule‐like control over a metallic core, tuning their optoelectronic behavior via surface engineering is often empirically driven. Here, we establish a design principle by demonstrating that the conformational landscape of intrinsically disordered proteins (IDP) can be used as a programmable scaffold to rationally modulate the photophysical properties of a covalently bound Au‐NC. We synthesized a series of bioconjugates between Au 25 nanoclusters and bioengineered IDPs containing a variable number of cysteine anchoring points. A combination of mass spectrometry, small‐angle X‐ray scattering, and modeling on the conjugates indicates that increasing the number of covalent anchors systematically restricts the conformational ensemble, inducing a progressively more compact protein shell around nanoclusters. This structural rigidification at the interface directly translates into a 15‐fold enhancement of the Au‐NC near‐infrared photoluminescence and a six‐fold increase in its average lifetime. Our findings demonstrate that the conformational plasticity of IDPs and the capacity to engineer them can be harnessed as a molecular tuning knob, moving to a new regime of programmable soft‐matter control over the properties of quantum‐confined nanomaterials for tailored biotechnological applications. KW - Fluorescence KW - Custer KW - Nano KW - Advanced material KW - Characterization KW - Fluorescence quantum yield KW - Integrating sphere spectroscopy KW - Thiol ligands KW - Gold KW - Surface chemistry KW - SWIR KW - Mass spectrometry KW - Protein PY - 2026 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-655086 DO - https://doi.org/10.1002/chem.202502991 SN - 0947-6539 SP - 1 EP - 9 PB - Wiley VHC-Verlag AN - OPUS4-65508 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Rastgou, Masoud A1 - Hülagü, Deniz A1 - Danilenko, Aleksandr A1 - Manoocheri, Farshid A1 - Hertwig, Andreas A1 - Ikonen, Erkki T1 - Comparison of thin-film thickness measurements using ellipsometry and reflectometry with uniform samples N2 - This study evaluates spectroscopic ellipsometry and reflectometry using high-quality SiO2 and Al2O3 thin-films on Si substrates, thereby facilitating a detailed assessment of consistency of measurement results and uncertainty analyses. The results with detailed uncertainty budgets indicate good agreement between the two methods across a broad layer thickness range from 10 nm to 2000 nm, with deviations remaining well within the measurement uncertainties. Ellipsometry results have lower uncertainty than reflectometry results especially with the thinner layers, whereas reflectometry uncertainties are lower with the thickest layers studied. This work underscores the importance of rigorous thickness characterization and reliable uncertainty evaluation as critical factors in advancing both modeling and measurement practices in thin-film metrology. KW - Ellipsometry KW - Reflectometry KW - Thin Film Metrology KW - Measurement Accuracy PY - 2026 UR - https://nbn-resolving.org/urn:nbn:de:kobv:b43-655209 DO - https://doi.org/10.1088/1681-7575/ae3964 SN - 0026-1394 VL - 63 IS - 1 SP - 1 EP - 14 PB - IOP Publishing CY - Bristol, UK AN - OPUS4-65520 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - George, Janine T1 - Robust Data Generation, Heuristics and Machine Learning for Materials Design N2 - My talk covered, among other things, robust data generation for machine learning. It showed how heuristics can be used within machine learning models and how they might also be extracted from machine learning models. Beyond this, I showed an automated pipeline for training machine learning potentials. T2 - Workshop on AI in Sustainable Materials Science CY - Düsseldorf, Germany DA - 27.01.2026 KW - Automation KW - Digitalisation KW - Materials Design KW - Thermal Conductivity KW - Chemical bonding KW - Materials Acceleration Platforms PY - 2026 AN - OPUS4-65427 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - George, Janine T1 - Robust Data Generation, Heuristics and Machine Learning for Materials Design N2 - My talk covered, among other things, robust data generation for machine learning. It showed how heuristics can be used within machine learning models and how they might also be extracted from machine learning models. Beyond this, I showed an automated pipeline for training machine learning potentials. T2 - Seminar Gruppe Stephan Roche CY - Barcelona, Spain DA - 22.01.2026 KW - Automation KW - Machine Learning KW - Materials Acceleration Platforms KW - Thermal Conductivity KW - Phonons KW - Bonding Analysis PY - 2026 AN - OPUS4-65428 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Rurack, Knut T1 - Functional polymeric coatings for sensory applications N2 - The growing demand for the detection of relevant chemical compounds as close as possible to their point of origin—whether in industrial processes, for (civilian or military) security, or for environmental monitoring—has increased the importance of functional polymers with molecular recognition capabilities. These materials must meet practical requirements arising from very different real-world scenarios in which simple, robust, and field-deployable approaches are needed and in which bioanalytical binders often suffer significant performance losses. Polymer recognition matrices therefore serve as an essential complement to established laboratory-based analytical technologies. The realization of rapid and reliable onsite detection places specific demands on material design: polymeric recognition layers must be produced with minimal thickness, integrated onto suitable carrier media, and designed for both selectivity and operational robustness. This presentation will introduce our work on molecularly imprinted polymers (MIPs) that have been specifically developed for the detection of relevant contaminants such as pesticides and perfluorinated compounds. Beyond these target analytes, the presentation will show how such polymer layers can support robust, sustainable diagnostic concepts, and it will outline generalizable design principles that enable their extension to a broad spectrum of analytical challenges. T2 - Institutskolloquium des Instituts für Chemie, Humboldt Universität zu Berlin CY - Berlin, Germany DA - 28.01.2026 KW - Functional organic materials KW - Responsive polymers KW - Sensing KW - Molecularly imprinted polymers PY - 2026 AN - OPUS4-65435 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Radnik, Jörg T1 - The role of Critical Raw Materials in Advanced Materials for the Energy Transition N2 - Based on the UBA report “Advanced materials for energy transition” by Xenia Knigge and Jörg Radnik the role of critical raw materials is discussed. Critical raw materials are needed in main fields of the energy transition, like photovoltaic, fuel cells, wind energy, and batteries. For the optimisation of the use of these materials different scenarios are discussed like (i) decreasing the needed amount of raw materials, (ii) searching for alternatives, (iii) using technologies which do not require critical raw materials, (iv) increasing the recycling rates, and (v) expanding the raw material sources. T2 - IRISS policy dialogue CY - Online meeting DA - 12.01.2026 KW - Solar Cells KW - Fuel cells KW - Batteries KW - Multi-use materials PY - 2026 AN - OPUS4-65451 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -