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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.
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.
The behavior of concrete under high strain rates is often described by plasticity models with softening, which is modeled by a reduction of the yield surface as a function of the local equivalent plastic strain. Among these are the RHT model, the K\&C model and the Johnson-Holmquist concrete model. These models are however local and therefore produce mesh-dependent results.
In this contribution, the gradient-enhancement of such models is investigated. First, the mesh-dependency of these local formulations based on the analysis with a modified JH2 model as a representative for these constitutive formulations is demonstrated using a one-dimensional benchmark example. The central difference method is used as solver with a diagonal mass matrix obtained from a Gauß-Lobatto integration.
In the benchmark, the width of the damaged zone decreases upon mesh-refinement and the dissipated plastic energy tends to zero. It is further shown that a significantly small safety factor for the critical time step is needed in order to achieve accurate results for the benchmark example.
Next, two gradient-enhancement approaches are investigated. The enhancement is based on the inclusion of inertia and damping to the additional Helmholtz equation which enables the use of the central difference method as an explicit solver. In the first formulation, the yield surface and therefore the softening is formulated in terms of a nonlocal equivalent plastic strain. In the second approach, a hardening term which depends on the local equivalent plastic strain is introduced to the modified JH2 model in addition to the nonlocal softening. This approach is inspired by results from gradient plasticity in quasi-static loading scenarios. It is shown that the approach without hardening can still lead to mesh-dependent results while the model that includes hardening successfully inhibits strain localization and leads to a converging dissipated plastic energy. This is further confirmed in a two-dimensional wedge-splitting experiment where the damage pattern produced by the local model is mesh-dependent as well and the dissipated plastic energy tends to zero with mesh-refinement. The proposed nonlocal model with hardening results in a consistent damage pattern and the dissipated plastic energy converges. Furthermore, the nonlocal model with hardening is less sensitive to time step refinement, such that computational efficiency can be improved compared to the local model.
The numerical experiments are implemented using the free and open-source tool FEniCSx.
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.
Application of Elastic Reverse Time Migration to Ultrasonic Echo Data from Concrete Structures
(2025)
To enhance ultrasonic imaging of concrete structures, we adapted the geophysical migration method, Reverse Time Migration (RTM), for non-destructive testing (NDT) in civil engineering. First, two 2D elastic RTM algorithms, each considering different wave types, were implemented and evaluated with synthetic ultrasonic data. The algorithm that best resolved numerical concrete structures was subsequently applied to real ultrasonic data from a concrete specimen. Compared with conventional synthetic aperture focusing technique (SAFT) imaging, elastic RTM reproduced a greater number of structural features in both the numerical model and the concrete specimen. In particular, elastic RTM reconstructed vertical interfaces as well as hidden lower edges of modeled cavities and tendon ducts. Notably, imaging the full cross-sections of tendon ducts, which enables direct diameter estimation, represents a novel achievement for ultrasonic NDT.
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.
The powder mass flow rate is one of the three main factors directly influencing geometry and quality in the Additive Manufacturing (AM; also 3D printing) process of Laser Metal Deposition (LMD), also known as Directed Energy Deposition (DED-LB/M). However, the pneumatic transport of the metal powder lacks stability, repeatability, and traceability. There is currently no reliable in-situ measurement of the mass flow rate available in industry. As a result, time-consuming powder flow measurements before the manufacturing are typical while no recording or feedback takes place during the manufacturing. Based on this problem statement, this thesis introduces a holistic approach for in-situ measurement and closed-loop control of pneumatic powder flows. For the in-situ measurement, a widely available nonintrusive optoelectronic sensor was used. Found mathematical dependencies reliably convert the sensor output into a powder mass flow rate dependent on powder parameters and feeding conditions. Therefore, the model is usable with various powder types while achieving a Mean Relative Error (MRE) of less than 4% at 125 Hz. Similarly, a model was introduced for the powder velocity using a second sensor further downstream. This provided insight into the powder’s movement while the model achieved an MRE of less than 3%.
As a second main research endeavor, the sensor output was used to implement and investigate a closed-loop powder flow control on a vibration feeder. PID controller gains were calculated empirically at set operating points for the nonlinear system. Again, a usage with various metal powders is possible as the influences of powder parameters and feeding conditions were investigated and incorporated into the model. In addition, the dependence on the previous powder flow (memory effect) was factored in as well. With this, faster recovery from blockages and a reduction in standard deviation during steady state feeding by more than 20% were demonstrated.
Complementary numerical CFD simulations investigated the effect of the carrier gas flow rates on powder flow homogeneity and powder particle size separations. A second modeling approach demonstrated the use of machine learning with the optoelectronic sensor output. A 1D convolutional neural network (CNN) was shown to be able to predict the powder flow with a Weighted Absolute Percentage Error (WAPE) of less than 4% compared to the actual flow. With this, the model’s capability to detect slightly elevated moisture (at <0.4wt%) in the powder as well as differences in particle size distribution was proven on in-situ data from powder feeding.
Finally, the methods were validated on the LMD process by additively manufacturing test components. The active closed-loop powder flow control shows a significant improvement in repeatability for LMD. The in-situ measurement allows a monitoring of the powder mass flow rate with the recorded data throughout the entire AM process. In addition, Scanning Electron Microscopy (SEM) images showed potential benefits at the microscopic level like reduced defects.
With this, the whole chain for a powder flow improvement method was investigated, implemented, and validated in the context of Laser Metal Deposition. Furthermore, a high potential for retrofitting is given while at low cost. This lays the foundation for a more traceable and digital AM process in industry leading to repeatable and safe products.
In combination with new types of drive technologies, more and more flammable gases could be introduced into the traffic area “road tunnel” in future. If these vehicles have an accident and the gases are subsequently released, there is the possibility that the mentioned substances show a heavy gas behavior due to their storage conditions. From a safety point of view, this scenario has to be assessed with regard to its effects on the tunnel structure and the people involved. The aim of the experimental investigations carried out in this work is to create the basis for such an analysis by investigating the spreading behavior of the gases after they have been released in the tunnel and determining the influence of individual geometric and operational parameters on this behavior. Specifically, this work is based on the scenario of a continuous, momentum-free release of propane within a vaulted road tunnel with active longitudinal ventilation. The tunnel-specific boundary conditions that are relevant to this scenario are first worked out by a theoretical analysis. The basis of the subsequent experimental part is formed by two test rigs built as part of the work, which are similar in their essential features, but differ in scale. In both facilities, the aforementioned release scenario was simulated under various boundary conditions based on an idealized tunnel segment. The dispersion behavior is primarily assessed by the averaged concentration distribution near the ground, which results from a large number of detectors arranged in the experimental area. The detectors operate on the principle of weakening infrared light in the presence of hydrocarbons. Measurements of the flow field properties accompany the concentration measurements. The conception of the test rig on a scale of 1:12 is based on dimensional analysis. The actual release campaign comprises a large number of individual experiments in which selected parameters were varied over the tunnel-relevant range. The predicted heavy gas behavior for propane emerged clearly in the experiments. In cases in which the cloud laterally reaches the tunnel walls, the gases are channeled, which is accompanied by reduced longitudinal dilution. It was possible to identify the release rate and the flow velocity as the factors that have the greatest influence. The former basically increased the concentration, while the latter decreased it. All other tested parameters resulted in more complex propagation situations, which force a differentiated consideration of the influence. Lifting the source from the ground also reduced the concentration. In the case of an eccentrically arranged source and a transverse slope of the roadway, the influence is largely limited to the lateral concentration distribution in the immediate vicinity of the source. Nevertheless, both parameters plus a possible longitudinal slope of the roadway only showed a slight effect on the area far-downstream from the source. In addition, the phenomenon of backlayering, which is known from the spreading of fire smoke in the tunnel, could be demonstrated with a steep longitudinal slope. Obstacles increased the complexity of the situation. While globally the dilution of the cloud is partly invariant to obstacles, locally an increase as well as a decrease in concentration can be observed under certain conditions. For the unobstructed tunnel, it was finally possible to define a dimensionless parameter that describes the curve of the longitudinal dilution on the ground within the heavy gas cloud. From this, a simple graphical nomogram is derived for the continuous release of heavy gases in an unobstructed tunnel environment, which can be used to estimate the concentration in relation of a dimensionless source distance. For exploring the real, undistorted behavior experiments were also carried out in original scale. Due to the similarity of both test rigs in terms of scale, the test results can also be used to check the scalability of the spreading situations. For that, two configurations that have already been examined in small scale were selected. The main limitation for test execution and regarding the scalability comparison was the dependence of the flow conditions within the test rig from external wind conditions which occurred despite of taken countermeasures. The large-scale release was associated with pronounced fog formation. The near-ground spreading corresponding to the heavy gas behavior could be confirmed. However, in detail the spread was far more unsteady. Looking at the time-averaged concentrations, the processes already known from the small-scale test were qualitatively well approximated. Remaining quantitative differences, however, require critical consideration. This discrepancy is more likely a consequence of the experimental compromises have to be made in the specific case. From the observed gas behavior, the development of a surface fire initiated by ignition of the re-leased gases is considered to be the most likely subsequent scenario for the release of heavy, flam-mable gases in tunnel-like enclosures. The thesis concludes with recommendations on the methodological approach to be favored in the future.
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.
Microstructure and orientation effects on microcompression-induced plasticity in nanoporous gold
(2026)
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.