TY - JOUR A1 - Muguruza, A.R. A1 - Odyniec, M.L. A1 - Manhota, M. A1 - Habib, Z. A1 - Rurack, Knut A1 - Blair, J.M.A. A1 - Kuehne, S.A. A1 - Walmsley, A.D. A1 - Pikramenou, Z. T1 - Antibiotic entrapment in antibacterial micelles as a novel strategy for the delivery of challenging antibiotics from silica nanoparticles N2 - Silica materials are popular in biomedical applications as composites and drug delivery platforms due to their low toxicity and biocompatibility. Mesoporous silica nanoparticles are attractive drug delivery systems based on their porous silica framework with high surface area. In the preparation of mesoporous silica frameworks, most commonly, MCM-41, the efficient removal of the template responsible for introducing porous networks, cetyltrimethyl ammonium bromide (CTAB), is a critical step due to the template’s high toxicity in the environment and human health. In this work, we present a new one-pot approach of introducing challenging antibiotics within a silica framework without the need of toxic templates, but instead using micelle formation by an antibacterial agent. We demonstrate that micelles formed by cetylpyridinium chloride (CPC), a known antibacterial agent, entrap antibiotics such as rifampicin and ciprofloxacin. Extensive NMR studies elucidate the precise localisation of the antibiotic within the CPC micelle. Ciprofloxacin is placed between the outer and palisade region while rifampicin is located further into the hydrophobic CPC micelle core. In both cases, the formation of the silica framework can be built around the CPC-antibiotic loaded micelles. The resulting silica nanoparticles show loading of both CPC and antibiotic agents, porosity and dual antibacterial release upon disruption of the micelle within the silica framework. The design not only provides a strategy of a therapeutic design to form porous frameworks but also highlights the potential of precise antibiotic dose and release in nanoparticle systems. KW - Silica KW - Nanoparticles KW - Antibiotics KW - Drug delivery KW - Surfactants PY - 2024 U6 - https://doi.org/10.1016/j.micromeso.2023.112841 SN - 1387-1811 VL - 363 SP - 1 EP - 11 PB - Elsevier Inc. CY - Amsterdam AN - OPUS4-58534 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Yang, Chunliang A1 - Yan, Fan A1 - Meng, Xiangmeng A1 - Putra, Stephen Nugraha A1 - Bachmann, Marcel A1 - Rethmeier, Michael T1 - Phase-field simulation of the dendrite growth in aluminum alloy AA5754 during alternating current electromagnetic stirring laser beam welding N2 - Electromagnetic stirring is known to promote material flow, reduce porosity, uniform elements distribution, and refine grain in laser beam welding (LBW), which enhances the applicability of LBW in various industries. In this study, a phase-field model of dendrite growth in AA5754 Al alloy electromagnetic stirring laser beam welding was established. The model considered the thermal electromagnetic Lorentz force resulting from the interaction between the electric field generated by the Seebeck effect and the magnetic field, as well as the temperature gradient and solidification rate of the solidification interface obtained from the computational fluid dynamics electromagnetic stirring LBW model. The variation rules of dendrite growth with different magnetic parameters and effects are analyzed. Comprehensively, the magnetic field promotes the solidification rate, thus promoting interfacial instability and a large magnetic flux density leads to a faster interface instability. The solidification rate as well as the temperature gradient affect the growth rate, and the accelerated growth caused by the so lidification rate with a high frequency and a large magnetic flux density effectively inhibits the slow growth caused by the temperature gradient. The thermal electromagnetic Lorentz force is the main factor for the branch increment at low frequencies, while both thermal electromagnetic Lorentz force and temperature gradient in crease the number of branches at high frequencies. The calculated average branch numbers considering various factors in the stable stage under different magnetic parameters were consistent with the results of the scanning electron microscope tests. KW - Laser beam welding KW - Electromagnetic KW - Aluminum alloys KW - Phase field method KW - Dendrite growth PY - 2024 U6 - https://doi.org/10.1016/j.ijheatmasstransfer.2023.124754 SN - 0017-9310 VL - 218 SP - 1 EP - 16 PB - Elsevier Ltd. AN - OPUS4-58489 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Darvishi Kamachali, Reza A1 - Wallis, Theophilius A1 - Ikeda, Yuki A1 - Saikia, U. A1 - Ahmadian, A. A1 - Liebscher, C. A1 - Hickel, Tilmann A1 - Maaß, Robert T1 - Giant segregation transition as origin of liquid metal embrittlement in the Fe-Zn system N2 - A giant Zn segregation transition is revealed using CALPHAD-integrated density-based modeling of segregation into Fe grain boundaries (GBs). The results show that above a threshold of only a few atomic percent Zn in the alloy, a substantial amount of up to 60 at.% Zn can segregate to the GB. We found that the amount of segregation abruptly increases with decreasing temperature, while the Zn content in the alloy required for triggering the segregation transition decreases. Direct evidence of the Zn segregation transition is obtained using high-resolution scanning transmission electron microscopy. Base on the model, we trace the origin of the segregation transition back to the low cohesive energy of Zn and a miscibility gap in Fe-Zn GB, arising from the magnetic ordering effect, which is confirmed by ab-initio calculations. We also show that the massive Zn segregation resulting from the segregation transition greatly assists with liquid wetting and reduces the work of separation along the GB. The current predictions suggest that control over Zn segregation, by both alloy design and optimizing the galvanization and welding processes, may offer preventive strategies against liquid metal embrittlement. KW - CALPHAD KW - Microstructure Design KW - Grain boundary engineering KW - Steels KW - Density-based Model KW - Segregation Engineering PY - 2024 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:b43-584292 SN - 1359-6462 SN - 1872-8456 VL - 238 SP - 1 EP - 5 PB - Elsevier CY - Amsterdam AN - OPUS4-58429 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Frei, Vivian A1 - Pirskawetz, Stephan A1 - Thiele, Marc A1 - Rogge, Andreas T1 - Ermüdungsverhalten von Beton für unterschiedliche Probekörpergeometrien N2 - Die zunehmende Anwendung hochfesten Betons in ermüdungsbelasteten Bauwerken, herausfordernde Belastungsszenarien im Bereich von On- und Offshore Windenergieanlagen bezüglich sehr hoher Lastwechselzahlen sowie das gleichzeitige Streben nach energie- und ressourcenschonendem Bauen stellen die Bemessung von Beton gegen Ermüdung vor neue Aufgaben. Eine Vielzahl von Studien beschreibt bereits die Auswirkung von Einflussfaktoren wie Mischungszusammensetzung, Feuchte, Probekörpergröße oder Belastungsart auf die Ermüdungsfestigkeit und den Ermüdungsprozess. Aufgrund der unterschiedlichen Geometrien und Mischungen der in den verschiedenen Studien verwendeten Proben sind die Auswirkungen der Einflussfaktoren jedoch kaum miteinander vergleichbar. In dem vom Bundesministerium für Wirtschaft und Klimaschutz (BMWK) geförderten Verbundprojekt WinConFat wurden deshalb verschiedene Einflussfaktoren gezielt an Proben mit einheitlichen Mischungen untersucht. Das durch die Bundesanstalt für Materialforschung und -prüfung (BAM) bearbeitete Teilprojekt fokussierte sich auf den „Einfluss der Probengeometrie und -größe auf die Ermüdung von Beton“. Neben der Erhebung von Daten zur Ermüdungsfestigkeit wurde der Ermüdungsprozess mit zerstörungsfreien Prüf- und Messmethoden untersucht. Diese Prüfmethoden wurden auch hinsichtlich ihrer Anwendbarkeit zur Erfassung der ermüdungsbedingten Schädigungsentwicklung an Betonbauwerken im Rahmen von Monitoringkonzepten bewertet. Untersucht wurden die Ermüdungsfestigkeiten und der Ermüdungsprozess an Zylindern mit drei unterschiedlichen Betonmischungen sowie unterschiedlicher Größe und Schlankheit. Die Ergebnisse dieser Untersuchungen werden im Folgenden vorgestellt und diskutiert. KW - Ermüdung KW - Hochfester Beton KW - Probengröße KW - Probengeometrie PY - 2024 VL - 644 SP - 1 EP - 135 PB - Beuth CY - Berlin AN - OPUS4-59647 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Strobl, Dominic A1 - Unger, Jörg F. A1 - Ghnatios, C. A1 - Klawoon, Alexander A1 - Pittner, Andreas A1 - Rethmeier, Michael A1 - Robens-Radermacher, Annika T1 - Efficient bead-on-plate weld model for parameter estimation towards effective wire arc additive manufacturing simulation N2 - Despite the advances in hardware and software techniques, standard numerical methods fail in providing real-time simulations, especially for complex processes such as additive manufacturing applications. A real-time simulation enables process control through the combination of process monitoring and automated feedback, which increases the flexibility and quality of a process. Typically, before producing a whole additive manufacturing structure, a simplified experiment in the form of a beadon-plate experiment is performed to get a first insight into the process and to set parameters suitably. In this work, a reduced order model for the transient thermal problem of the bead-on-plate weld simulation is developed, allowing an efficient model calibration and control of the process. The proposed approach applies the proper generalized decomposition (PGD) method, a popular model order reduction technique, to decrease the computational effort of each model evaluation required multiple times in parameter estimation, control, and optimization. The welding torch is modeled by a moving heat source, which leads to difficulties separating space and time, a key ingredient in PGD simulations. A novel approach for separating space and time is applied and extended to 3D problems allowing the derivation of an efficient separated representation of the temperature. The results are verified against a standard finite element model showing excellent agreement. The reduced order model is also leveraged in a Bayesian model parameter estimation setup, speeding up calibrations and ultimately leading to an optimized real-time simulation approach for welding experiment using synthetic as well as real measurement data. KW - Proper generalized decomposition KW - Model order reduction KW - Hardly separable problem KW - Additive manufacturing KW - Model calibration KW - Wire arc additive manufacturing PY - 2024 U6 - http://nbn-resolving.de/urn/resolver.pl?urn:nbn:de:kobv:b43-596502 SN - 0043-2288 SP - 1 EP - 18 PB - Springer AN - OPUS4-59650 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Bonse, Jörn T1 - Funktionalisierung durch laser-induzierte periodische Oberflächenstrukturen N2 - Der Vortrag gibt einen Überblick über die vielfältigen Möglichkeiten der Oberflächenfunktionalisierung mittels Mikro- und Nanostrukturierung durch Ultrakurzpuls-Lasermaterialbeabeitung. Dies schließt eine Diskussion des Phänomens der Laser-induzierten periodischen Oberflächenstrukturen (LIPSS, engl.: Laser-induced Periodic Surface Structures, Ripples), sowie deren Klassifikation und Bildungsmechanismen mit ein. Ein Schwerpunkt der Präsentation liegt auf der Diskussion verschiedener Anwendungsmöglichkeiten der LIPSS in Bereichen der Optik, Fluidik, Tribologie und Medizin, sowie auf einem Ausblick auf die industrielle Skalierbarkeit der LIPSS-Technologie. T2 - 1. Netzwerktreffen 2024 des UKPL-Innovationsnetzwerks CY - Rostock, Germany DA - 11.03.2024 KW - Laser-induced Periodic Surface Structures (LIPSS) KW - Oberflächenfunktionalisierung KW - Mikrostrukturen KW - Nanostrukturen KW - Ultrakurzpuls-Laserbearbeitung PY - 2024 AN - OPUS4-59657 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - CONF A1 - Omar, Hassan A1 - Szymoniak, Paulina A1 - Hertwig, Andreas A1 - Schönhals, Andreas T1 - Investigations of Ultrathin Polymer Films Supported on Inorganic Substrates N2 - Interactions between a polymer and a substrate interface play a vital role in understanding the improvement in thin film material properties as well as serving as a model for nanocomposites. For any non-repulsive polymer-substrate interactions, polymer segments form an irreversibly adsorbed layer and show a slowdown in the glassy dynamics and thus an increase in the thermal glass transition temperature compared to the bulk-like values. The growth kinetics of the adsorbed layer showed a deviation for both poly (bisphenol-A carbonate) (PBAC) and polysulfone (PSU), two bulky polymers containing a functional group (phenyl ring) in the backbone. T2 - Royal Society of Chemistry (RSC) Online Poster Conference CY - Online meeting DA - 05.03.2024 KW - Adsorbed Layer KW - Thin Films KW - Atomic Force Microscopy KW - Ellipsometry PY - 2024 AN - OPUS4-59625 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Hodoroaba, Vasile-Dan T1 - Delivering Impact - A new ISO standard on the identification of nanoparticles N2 - Nanoparticles (NPs) are tiny – around 1 to 100 billionths of a meter – and can have different chemistries and behaviours than the same material of larger size. This property has led to advances in a wide range of industries, but it can also confer toxicity. Size measurements are the main way NPs are identified but a lack of standardised methods for identifying ones with complex shapes has hindered evaluation of their potential harm. KW - Nanoparticles KW - Standardisation KW - Particle size distribution KW - nPSize KW - ISO 21363 PY - 2024 UR - https://www.euramet.org/casestudies/casestudiesdetails/news/default-c3b26209e8 SP - 1 EP - 2 PB - EURAMET CY - Braunschweig AN - OPUS4-59626 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Artinov, Antoni A1 - Karkhin, Victor A1 - Bachmann, Marcel A1 - Rethmeier, Michael T1 - Simulation of solidification during keyhole laser welding of thick plates T1 - Моделирование процесса кристаллизациипри лазерной сварке со сквозным проплавлением пластин большой толщины N2 - A method of solving the thermo-fluid dynamics problem is presented, enabling the prediction of the shape and dimensions of the weld pool during keyhole laser welding of thick plates. It is shown that the rear weld pool boundary can be satisfactorily approximated by a set of superellipses (Lamé curves). The presence of a convex rear weld pool boundary in the mid-plane has been observed experimentally and reproduced numerically. It was shown that in this zone the concentration of liquating impurities increases and the local solidification temperature decreases, contributing to the susceptibility to hot cracking. KW - Laser beam welding KW - Three-dimensional crystallization KW - Mathematical modeling KW - Superellipse KW - Thick steel plates PY - 2024 U6 - https://doi.org/10.34641/SP.2023.1062.5.041 VL - 5 SP - 31 EP - 36 AN - OPUS4-59639 LA - rus AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - JOUR A1 - Chazeau, E. A1 - Fabre, C. A1 - Privat, M. A1 - Godard, A. A1 - Racoeur, C. A1 - Bodio, E. A1 - Busser, B. A1 - Wegner, Karl David A1 - Sancey, L. A1 - Paul, C. A1 - Goze, C. T1 - Comparison of the In Vitro and In Vivo Behavior of a Series of NIR-II-Emitting Aza-BODIPYs Containing Different Water-Solubilizing Groups and Their Trastuzumab Antibody Conjugates N2 - The development of new fluorescent organic probes effective in the NIR-II region is currently a fast-growing field and represents a challenge in the domain of medical imaging. In this study, we have designed and synthesized an innovative series of aza-boron dipyrromethenes emitting in the NIR-II region. We have investigated the effect of different water-solubilizing groups not only on the photophysical properties of the compounds but also on their in vitro and in vivo performance after bioconjugation to the antibody trastuzumab. Remarkably, we discovered that the most lipophilic compound unexpectedly displayed the most favorable in vivo properties after bioconjugation. This underlines the profound influence that the fluorophore functionalization approach can have on the efficiency of the resulting imaging agent. KW - NIR-II KW - In vivo imaging KW - Fluorescence KW - Spectroscopy KW - Antibody conjugates PY - 2024 U6 - https://doi.org/10.1021/acs.jmedchem.3c02139 SP - 1 EP - 13 PB - ACS Publications AN - OPUS4-59607 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -