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Vehicle fires: significant fire hazard in transportation infrastructure
No full textThe zeolitic imidazole framework-8 (ZIF-8) is a crystalline porous material that has been widely employed as template to fabricate porous nitrogen-doped carbons with high microporosity via thermal treatment at high temperatures. The properties of the carbon scaffold are influenced by the pore structure and chemical composition of the parent ZIF. However, the narrow pore size distribution and microporous nature from ZIF-8 often results in low mesopore volume, which is crucial for applications such as energy storage and conversion. Here we show that insertion of N-heterocyclic amines can disrupt the structure of ZIF-8 and dramatically impact the chemical composition and pore structure of the nitrogen-doped carbon frameworks obtained after high-temperature pyrolysis. Melamine and 2,4,6-triaminopyrimidine were chosen to modify the ZIF-8 structure owing to their capability to both coordinate metal ions and establish supramolecular interactions. Employing a wide variety of physical characterization techniques we observed that melamine results in the formation of a mixed-phase material comprising ZIF-8, Zn(Ac)6(Mel)2 and crystallized melamine, while 2,4,6-triaminopyrimidine induces the formation of defects, altering the pore structure. Furthermore, the absence of heterocyclic amine in the ZIF-8 synthesis leads to a new crystalline phase, unreported to date. The thermal conversion of the modified ZIFs at 1000 °C leads to nitrogen-doped carbons bearing Zn moieties with increased surface area, mesopore volume and varying degree of defects compared to ZIF-8 derived carbon. This work therefore highlights both the versatility of heterocyclic amines to modify the structure of framework materials as well as their role in tuning pore structure in nitrogen-doped carbons, paving the way to targeted design of high-performance electrodes for energy storage and conversion
Nano- and Advanced Materials Synthesis in a Self-Driving Lab (SDL)
No full textNano- and advanced materials have been recognized as a key enabling technology of the 21st century, due to their high potential of driving innovations in new clean energy technologies, sustainable manufacturing by substitution of critical raw materials and replacement of hazardous substances, breakthroughs in energy conversion and storage, improvement of the environmental performance of products and processes, and facilitation of circularity. Consequently, improving tools that enhance the development and optimization cycle of nano- and advanced materials is crucial.
In this contribution, we present our Self-Driving Lab (SDL) for Nano and Advanced Materials [1], that integrates robotics for batched autonomous synthesis – from molecular precursors to fully purified nanomaterials – with automated characterization and data analysis, for a complete and reliable nanomaterial synthesis workflow. By fully automating these three process steps for seven different materials from five representative, completely different classes of nano- and advanced materials (metal, metal oxide, silica, metal organic framework, and core–shell particles) that follow different reaction mechanisms, we demonstrate the great versatility and flexibility of the platform. The system also exhibits high modularity and adaptability in terms of reaction scales and incorporates in-line characterization measurement of hydrodynamic diameter, zeta potential, and optical properties (absorbance, fluorescence) of the nanomaterials. We discuss the excellent reproducibility of the various materials synthesized on the platform in terms of particle size and size distribution, and the adaptability and modularity that allows access to a diverse set of nanomaterial classes. These features underscore the SDL’s potential as a transformative tool for advancing and accelerating the development of nano- and advanced materials, offering solutions for a sustainable and environmentally responsible future
Molecular mobility and electrical conductivity of amino acid-based (DOPA) ionic liquid crystals in the bulk state and nanoconfinement
No full textThis study explores the molecular mobility, phase behavior, and electrical conductivity of dihydroxyphenylalanine-based ionic liquid crystals (DOPAn, with alkyl side chains n = 12, 14, 16) featuring cyclic guanidiniumchloride headgroups, in both bulk and nanoconfined states. Using broadband dielectric spectroscopy, differential scanning calorimetry, and fast scanning calorimetry, the research uncovers a complex interplay between molecular structure, self-assembly, and molecular mobility. In bulk, DOPAn shows a phase sequence from plastic crystalline to hexagonal columnar and isotropic phases, driven by superdisc formation and columnar organization. Multiple relaxation processes are identified: localized side-chain dynamics (γ-relaxation), ionic headgroup or core motions (α1-relaxation), and cooperative alkyl domain fluctuations (α2-relaxation). Conductivity decreases with increasing side chain length. Under nanoconfinement in anodic aluminum oxide membranes, phase behavior changes: the Colh–Iso transition is suppressed, and a new α3-relaxation appears, linked to dynamics in an adsorbed interfacial layer. DC conductivity drops by up to four orders of magnitude due to confinement effects, altered molecular orientation, and phase transitions—especially the emergence of a nematic-like state in DOPA16. These findings highlight the importance of molecular design, pore geometry, and surface chemistry in tuning ionic liquid crystal properties for advanced applications in nanofluidics, ion transport, and responsive materials
Stress Corrosion Tests for Prestressing Steels—Part 2: Susceptibility of Quenched and Tempered Wires—Influence of Chromium
No full textDue to the risk of failure in existing prestressed concrete bridges, the assessment of the susceptibility of prestressing steel to hydrogen‐induced stress corrosion cracking will become more important in the future. At present, the used normative ISO 15630‐3 test gives unpersuasive and diverging results using a free corrosion approach for the needed hydrogen charging for stress corrosion cracking initiation. A newly developed test method uses the cathodic polarization to control the supply of electrons for hydrogen charging instead of an uncontrolled and variable supply of electrons by metal dissolution during free corrosion. Experimental data shows a reliable differentiation between highly susceptible known quenched and tempered wires and robust cold‐drawn wires with this new test. A round robin with eight participating testing institutes demonstrated the reproducibility of results testing a cold‐drawn wire batch of St 1470/1670. In contrast to previously reported experience in the literature, the new method ranks the Cr‐alloyed quenched and tempered (“new‐type”) wires as highly‐susceptible as the “old‐type” wires without Cr‐alloy
Mechanochemical synthesis of multivariate UPO-3 (Cu-ZIF-9-ica) MOF for inactivation of antibiotic-resistant bacteria and irrigation-quality water production via heterogeneous photo-Fenton catalysis
No full textWater scarcity and pollution are critical global challenges, particularly in agriculture, the largest consumer of water. The development of sustainable, effective, and environmentally friendly disinfection methods is essential to address the risks posed by antibiotic-resistant bacteria and to ensure safe reuse of water for irrigation. In this study, we report the synthesis of the metal-organic framework (MOF) Universidad Pablo de Olavide-3 (UPO-3) via a mechanochemical approach, a scalable and sustainable method compared to traditional solvothermal synthesis. The resulting UPO-3/H2O2 system exhibits robust photocatalytic properties under visible light, achieving effective and broad-spectrum antibacterial activity. The disinfection efficiency of the catalyst was evaluated against Escherichia coli as a model of microbial pathogen in two saline matrices, considering the key parameters of the heterogeneous photo-Fenton process, including catalyst dosage, initial H2O2 concentration, and light irradiation. Notably, it inactivated two important virulent and antibiotic-resistant bacterial pathogens (Staphylococcus aureus and Pseudomonas aeruginosa). Furthermore, UPO-3 shows exceptional performance under real-world conditions, such as river water disinfection, achieving >5-log reduction of E. coli, fulfilling a critical criterion for Class A water reuse under Regulation (EU) 2020/741. These results highlight UPO-3 as a versatile and sustainable solution for water reuse, addressing water scarcity and advancing efforts to achieve United Nations Sustainable Development Goal 6
An automated framework for exploring and learning potential-energy surfaces
No full textMachine learning has become ubiquitous in materials modelling and now routinely enables large-scale atomistic simulations with quantum-mechanical accuracy. However, developing machine-learned interatomic potentials requires high-quality training data, and the manual generation and curation of such data can be a major bottleneck. Here, we introduce an automated framework for the exploration and fitting of potential-energy surfaces, implemented in an openly available software package that we call (‘automatic potential-landscape explorer’). We discuss design choices, particularly the interoperability with existing software architectures, and the ability for the end user to easily use the computational workflows provided. We show wide-ranging capability demonstrations: for the titanium–oxygen system, SiO2, crystalline and liquid water, as well as phase-change memory materials. More generally, our study illustrates how automation can speed up atomistic machine learning in computational materials science
Was macht eigentlich… der Demonstrator aus dem Forschungsprojekt SEE-2L?
No full textIn den Jahren 2021 bis 2023 hat die BAM im Verbund mit weiteren Institutionen das BMBF-Vorhaben SEE-2L bearbeitet. Der Artikel gibt einen kurzen Überblick über die daraus weitergeführten Aktivitäten
CPT-based probabilistic analysis of monopile foundations considering spatial and transformation uncertainties
No full textThis study utilizes cone penetration testing data data from a real offshore windfarm project in the North Sea and presents a method for incorporating both, statistical and spatial uncertainties, in a reliability-based assessment of monopile foundations. Initially, a Gaussian Process regression model is constructed to predict a 3D map of the cone tip resistance and the associated uncertainties in the predictions and the hyperparameters, leveraging Markov Chain Monte Carlo methods. The CPT-based prediction is combined with a correlation derived from data collected at a nearby site to predict the probability distribution of the friction angle at a test location, which is subsequently used to evaluate the probability of failure for a monopile foundation with a finite element model
Monitoring of Concrete Infrastructure with Active Ultrasound Coda Wave Interferometry
No full textCoda Wave Interferometry has been used in Geophysics to detect weak changes in scattering media. Past research in Structural Health Monitoring has shown that this methodology can be applied to concrete structures to detect material changes by calculation of relative velocity changes. Successive measurements with embedded ultrasonic transducers provide a repeatable signal for reliable long-term monitoring of concrete. To research the application in real-world structures, we have embedded ultrasonic transducers in a bridge in Ulm and a Metro station in Munich, Germany. This study gives an overview of the monitoring of these two structures. The results show the potential and challenges of the method. Data evaluation can be largely automated to gain insights into material changes and other influences on the structure, such as traffic-induced load and temperature variations. The experiments demonstrate the ease of installation, longevity of the sensor installation, and sensitivity of the measurement technique, but highlight problems with the application, especially if electromagnetic noise affects data quality. As no confirmed substantial damage was recorded during the monitoring period on both structures, we evaluate load tests to investigate the effect of static load on the structures and the coda monitoring results. The experiments show that the influence of load can be detected, even if the temperature influence is not removed from the data. This indicates that online damage detection with coda monitoring is possible, but further research on damage detection in real-world structures has to be conducted to confirm laboratory findings
In-situ very high cycle fatigue experiments of additively manufactured Ti-6Al-4V using X-ray computed tomography
No full textX-ray computed tomography (XCT) is an invaluable method for evaluating the properties and performance of components both during service and after failure in a non-destructive manner. XCT is particularly useful for the investigation of additively manufactured (AM) components, which often have production defects that are inherent to the manufacturing process, such as lack of fusion defects. Understanding the mechanisms of fatigue crack growth throughout the life cycle of such components is crucial and so to address this need, we designed and performed experiments to investigate the fatigue life and fatigue crack growth behavior of Ti-6Al-4V components under very high cycle fatigue (VHCF) testing. The titanium samples were additively manufactured with intentional internal defects to control crack initiation location. XCT of the component was carried out to identify crack initiation sites and characterize the dynamics of crack growth. The findings from this work will benefit industries that rely on the AM of titanium alloys, aiding in the improvement of component design and manufacturing processes