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Nowadays amorphous silica nanoparticles (SiO2-NP) are one of the most abundant engineered nanomaterials, that are highly stable and can be easily produced on a large scale at low cost. Surface functionalized SiO2-NP are of great interest in the life and material sciences, as they can be used e.g. as
drug carriers, fluorescent sensors, and multimodal labels in bioanalytical assays and imaging applications. Their performance in such applications depends not only on particle size, size distribution, and morphology, but also on surface chemistry, i.e. the total number of surface functional groups (FG)
and the number of FG accessible for subsequent functionalization with ligands or biomolecules, which in turn determines surface charge, colloidal stability, biocompatibility, and toxicity. Aiming at the development of simple, versatile, and multimodal tools for the quantification of many bioanalytically relevant FG and ligands, we investigated and compared various analytical methods commonly used for FG quantification. This includes electrochemical titration methods, dye-based optical assays, and other instrumental analytical techniques such as nuclear magnetic resonance and thermal analysis methods.
The potential of our multimodal approach for FG quantification was demonstrated for commercial and custom-made silica particles of varying FG, showing not only an influence of the synthesis methods on the number of FG but also on the performance. In the future, our strategy can contribute to establish multi-method characterization strategies to provide a more detailed picture of the structure-properties relationship.
Engineered nanomaterials (NM) with their large surface-to-volume ratios and their for some materials observed size-dependent functional properties are of increasing relevance for current and future developments in various fields such as medical and pharmaceutical industry, computing and electronics or food and consumer products. The performance and safety of NM are determined by the sum of their intrinsic physicochemical properties. Especially, the particle surface chemistry, which is largely controlled by the chemical nature and density of functional groups (FG) and ligands, is an important key driver for NM performance, stability, and processibility as well as the interaction of NM with the environment. Thus, methods for FG quantification can foster the sustainable development of functional and safe(r) NM.
Aiming at the development of simple, versatile, and multimodal tools for the quantification of many bioanalytically relevant FG and ligands, we investigated and compared various analytical methods commonly used for FG quantification. This includes electrochemical titration methods, dye-based optical assays, and other instrumental analytical techniques such as nuclear magnetic resonance and thermal analysis methods.
The potential of our multimodal approach for FG quantification was demonstrated for commercial and custom-made polymeric and silica particles of varying FG, used as optical pH sensors. In the future, our strategy can contribute to establish multi-method characterization strategies to provide a more detailed picture of the structure-properties relationship.
A Multi-scale temporal integration scheme for viscoplatic solids subjected to fatigue deterioration
(2016)
Using a continuum mechanics framework for lifetime prediction requires numerical integration of evolving damage until the onset of failure. The primary challenge for the simulation of structural fatigue failure is caused by the enormous computational costs due to cycle by cycle temporal integration throughout the whole loading history, which is in the order of 10^3 - 10^7 cycles. As a consequence, most approaches circumvent this problem and use an empirical method such as Wöhler curves. They are well suited for approximation of the lifetime, but they are not capable to capture a realistic degradation of the material with a redistribution of the stresses. The main objective of the paper is to provide a technique for the long time response of a finite element (FE) model while reducing computational costs.
A multi-scale temporal integration scheme is proposed, which adapts the conventional FE method for realistic modeling of deterioration in a structure subjected to cyclic loading. For a particular case of two-scale temporal homogenization, the displacement field is assumed to satisfy scale separation: a short time scale arises from the oscillatory loading and a long time scale is due to the slow response relating to yielding and damage evolution. The original boundary value Problem (BVP) is approximated by the time-Independent BVPs on the short time scale. Alternation of the displacement field on the long time scale is correlated with the damage evolution by means of the adaptive cycle jump method. The significant acceleration of FE simulations is demonstrated for a constitutive damage model where the progressive damage accumulation under fatigue loading is driven by viscoplastic deformation.
In most cases where a POD is calculated based on continuous data obtained by active thermography, the signal-to-noise ratio (SNR) of the signal, the difference of the defect signal to the background or the absolute signal is analyzed as a function of the aspect ratio (ratio of the size of a defect to its overage), although a distinct linear relationship on a linear or logarithmic scale could not be satisfactorily shown and is also not expected. Therefore, a multi-parameter probability of detection (POD) model was developed, where an â versus a continuous signal analysis was based on the linear relationship between the SNR and a multi-parameter a. This POD model is based on data which were recorded within a flash thermography round robin test with nine participants. Metal test specimens with flat bottom holes (FBHs) were analyzed by calculating the SNR of the defect signatures in the thermograms as well as in the phase images as a function of defect parameters. The linear relationship of the experimental data to the multi-parameter a was verified by comparison to data obtained from an analytical model that is considering lateral thermal heat diffusion as well as to data obtained by numerical simulation. The resulting POD curves for the thermograms and phase images give an estimation for the detectability of the FBHs with known geometry in steel using different equipment and obtained by different participants. By comparing the SNRs of FBHs with similar geometries, this POD model was transferred to aluminum and copper as well.
Supplementary cementitious materials (SCMs) are largely used all over the world. The leading SCMs are fly ash (FA) and slag. However, such materials originate from industries that are not well established in sub-Saharan Africa (SSA). Therefore, it becomes extremely challenging and expensive to build up sustainable cement and concrete. For SSA, agriculture is one of the leading economic sectors. Agricultural by-products such as rice husk ash (RHA), can be a potential binder material beneficial for use in a cementitious system. RHA combined with limestone filler (LSF) is an option that can be practised for rice producing countries in Africa.
The presentation provides an overview and introduction to the need and drivers for the digital transformation of the quality infrastructure (QI). It illustrates the tools and processes that are the fundation of a digital QI and how the initiatve QI-Digital aims at developing accordant solutions. Special emphasis is given to the pilot projects at BAM.
The passage of the train is dominated by the impulses of the static axle loads. The response of the regular homogeneous and irregular soils has been calculated by the finite-element method in frequency domain. The superposition of the impulse responses yields the quasi-static component of the ground vibration which is restricted to very low frequencies and to the close near-field of the track. In case of an irregular soil or ballast of which the stiffness varies randomly in space, a mid-frequency ground vibration component is generated by the scattering of the axle impulses. Measurements will be shown which prove the existence of the mid-frequency ground vibration component and the unique explanation by the scattered axle impulses: many international measurements with a raised mid-frequency component, axle-box measurements with a too low mid-frequency dynamic load, amplitude-speed dependencies which are incompatible with irregularity-induced dynamic loads, and ground vibration reductions due to stiff track elements.
Bacterial adhesion on surfaces of medical, water and food applications may lead to infections, water or food spoilage and human illness. In comparison to traditional static and macro flow chamber assays for biofilm formation studies, microfluidic chips allow in situ monitoring of biofilm formation under various flow regimes, have better environment control and smaller sample requirements.
In this work, a novel microfluidic platform is developed to investigate biofilm adhesion under precisely controlled bacteria concentration, temperature, and flow conditions. This platform central unit is a single-inlet microfluidic flow cell with a 5 mm wide chamber designed and tested to achieve ultra-homogenous flow in the central area of chamber. Within this area, defined microstructures are integrated that will disturb the homogeneity of the flow, thus changing bacterial adhesion pattern.
Here we present the monitoring of bacterial biofilm formation in a microfluidic chip equipped with a microstructure known as micro-trap. This feature is based on a 3D bacteria trap designed by Di Giacomo et al. and successfully used to sequester motile bacteria.
At first, fluorescent particles similar in size to Escherichia coli (E. coli) are used to simulate bacteria flow inside the flow cell and at the micro-trap. The turbulences induced by the trap are analyzed by imaging and particle tracking velocimetry (PTV). Secondly, the model strain E. coli TG1, ideal and well described for biofilm studies, is used to analyze biofilm formation in the micro-trap. Therefore, a stable fluorescent strain E. coli TG1-MRE-Tn7-141 is constructed by using Tn7 transposon mutagenesis according to the method described by Schlechter et al. Sequestering of E. coli cells within the micro-trap was followed using epifluorescence microscopy.
The novel microfluidic platform shows great potential for assessment of bacterial adhesion under various flow regimes. The performance of structural feature with respect to the generation of turbulences that promote or reduce bacterial adhesion can be systematically examined.
The combination of flow analysis and fluorescent strain injection into the microfluidic chip shows that the micro-trap is useful for capturing bacteria at defined positions and to study how flow conditions, especially micro-turbulences, can affect biofilm formation. It represents a powerful and versatile tool for studying the relation between topography and bacteria adhesion.
Statistic process control as well as process capability demand for calibrated determination of layer thicknesses in various industries, e.g. automotive, aerospace, microelectronics manufacturing. Calibration requires well know and well characterized samples. A calibration laboratory accredited according to DIN EN ISO 17025 has the objective to distribute standards traceable to SI units to industrial laboratories for quality control of manufacturing of various products. Especially, the thickness determination of thin metallic coatings e.g. from galvanic processes or layer deposition using X-Ray Fluorescence can be significantly improved by customized calibration samples. This is essential as the measurement uncertainty directly correlates to the capability performing reliable control of processes with high yield. For calibration laboratories, the validation of results using round robins and the direct comparison to national metrology institutes is a prerequisite to demonstrate the competence to perform calibration services.
In this paper a strategy to obtain traceability and validation for thin alloy layers as well as first results are presented. The combined use of the accredited method for determination of mass per area from measurement of mass and area combined with standard free X-Ray Fluorescence as well as chemical analysis of dissolved samples with thin layers is deployed for material systems as NixZn1-x as well as NixP1-x. The obtained results are compared to reference free X-Ray Fluorescence at the BESSY II laboratories of Physikalisch-Technische Bundesanstalt. An excellent agreement of the obtained measured values as mass per unit area and alloy concentrations from the different applied methods within the measurement uncertainty was observed for NixP1-x showing the successful performed traceability of the calibration samples to SI units in combination with a validation of results by national metrology institutes and the round robin approach.
Natural and synthetic estrogens are key endocrine-disrupting chemicals. Despite occurring at ultra-trace levels (below ng L-1), it is believed that they are contributing to an increase in feminized fish and other endocrine disruptive effects, and hence, their inclusion in the Watch list was not unexpected. One of the main sources ofestrogens to surface waters is wastewater effluent. Once in surface waters, they can partition into different compartments, i.e., water and suspended particulate matter. For this reason, there is an urgent need for a methodology to monitor estrogen levels below the environmental quality standards (EQS) set by the Water Framework Directive requirements.
In this study, a precise and accurate gas chromatography-mass spectrometry method (GC-MS/MS) for the analysis of estrone (E1), 17β-estradiol (17β-E2), 17α-estradiol (17α- E2), 17-alpha-ethinylestradiol (EE2), and estriol (E3) in whole water samples with ng L-1 limit of quantification (LOQ) was developed and validated in accordance with CEN/TS 16800:2020 guidelines.
Strain hardening ultra high performance fibre reinforced cementitious composites (UH-PFRCC) exhibit increased strength, ductility, and energy absorption capacity when compared to their quasi-brittle, unreinforced counterparts. A mesoscale finite element model can depict the underlying causes for the structural response of UHPFRC and thus help to optimize the fibre content, the fibre dimensions, and the fibre orientation.
Furthermore, it facilitates the investigation of strain rate effects in UHPFRCC under dynamic loading. The mesoscale model can either be used directly or as a representative volume element for a macroscale model.
This work proposes a two-dimensional and a three- dimensional mesoscale finite element model to simulate the structural response of strain hardening UHPFRCC. The mesoscale model employs an implicit gradient enhanced damage model, proposed by Peerlings et al., for the cement matrix and a local bond stress-slip model, proposed by Elige-hausen, Popov, and Bertero, for the bond between the cement matrix and the steel fibres. The steel fibres are modeled discretely as one-dimensional truss elements that are coupled to the cement matrix via bond elements. The implementation of hooked end fibres is realized in the constitutive equations of the bond elements.
The tensile stress-strain response of UHPFRCC is a consequence of local matrix cracking and bond failure. Both phenomena can be depicted when modeling the cement matrix, the steel fibres, and the fibre-to-matrix bond explicitly. In this work, the parameters for the constitutive equations of each constituent are determined through uniaxial Tension tests, bending tests, and fibre pullout tests. Additionally, UHPFRCC specimens are simulated with the same parameters and compared to experimental results.
A Material Testing Program to Characterize the Concrete Behavior under Static and Dynamic Loads
(2010)
The interaction of the vehicles with the pavements imply damaging effects on both systems, as a function of the operating conditions and design characteristics of both systems. These effects influence the road pricing as well as the maintenance costs of the vehicles. In this paper, a simulation scheme has been proposed to analyze such interaction in massive way, involving a multivehicle models was the uncoupling of the roll and pitch responses. Results suggest that the damaging effects on the pavement and the vehicle, depends on the position along the road profile. However, the vertical design of the road would mainly affect the pavement damage, while the turning maneuvers would strongly influence the damage of the vehicle. Many uses can be identified for the proposed simulation scheme, involving different design and operating conditions for both systems.
Half-cell potential mapping (HP) is the most popular nondestructive test (NDT)-method for the localization of corrosion damage in concrete. It is generally recognized, that HP is prone to the environmental factors that arise from salt induced deterioration, such as varying moisture and chloride gradients. Additional NDT-methods are capable to determine distinctive areas, but cannot yet be used to estimate more accurate testing results. We introduce a supervised machine learning (SML) based approach for data fusion to make use of the additional sensor information. SML are methods that explore relations between different (sensor) data from predefined data labels. We use a simple linear classifier named logistic regression to distinguish defect and intact areas. The test performance improves drastically compared to the best single method, HP. In order to generate representative, labeled data we conducted a comprehensive experiment that simulates the deterioration-cycle of a chloride-exposed building part in the lab. Our data set consist of 18 measurement campaigns, each containing HP-, ground-penetrating-radar-, microwave-moisture-, and Wenner-resistivity-data. We detail the challenges that arise with a data driven approach in NDT and how we addressed them.
The applications of composite overwrapped pressure vessels (COPVs) in extreme conditions, such as storing hydrogen gases at very high pressure, impose new requirements related to the system's integrity and safety. The development of a structural health monitoring (SHM) system that allows for continuous monitoring of the COPVs provides rich information about the structural integrity of the component. Furthermore, the collected data can be used for different purposes such as increasing the periodic inspection intervals, providing a remaining lifetime prognosis, and also ensuring optimal operating conditions. Ultimately this information can be complementary to the development of the envisioned digital twin of the monitored COPVs. Guided waves (GWs) are preferred to be used in continuous SHM given their ability to travel in complex structures for long distances. However, obtained GW signals are complex and require advanced processing techniques. Machine learning (ML) is increasingly utilized as the main part of the processing pipeline to automatically detect anomalies in the system's integrity. Hence, in this study, we are scrutinizing the potential of using ML to provide continuous monitoring of COPVs based on ultrasonic GW data. Data is collected from a network of sensors consisting of fifteen Piezoelectric (PZT) wafers that were surface mounted on the COPV. Two ML algorithms are used in the automated evaluation procedure (i) a long short-term memory (LSTM) autoencoder for anomaly detection (defects/impact), and (ii) a convolutional neural network (CNN) model for feature extraction and classification of the artificial damage sizes and locations. Additional data augmentation steps are introduced such as modification and addition of random noise to original signals to enhance the model's robustness to uncertainties. Overall, it was shown that the ML algorithms used were able to detect and classify the simulated damage with high accuracy.
Cable-suspended parallel manipulators have been a topic of research for multiple decades and called special attention in the fields of simulations. However, they are also well-suited for the simple evaluation of aerial-based mobile robot olfaction (MRO) algorithms, such as gas source localization and gas distribution mapping. Based on an open source framework for 3D printers, we designed a low-cost underconstrained, cable-suspended parallel manipulator. Computations are carried out purely on an Atmel ATmega2560 microcontroller.
A look inside nanoparticles
(2019)
Small-angle scattering is the method of choice when it comes to obtaining information about the interior of nanoparticles. The aim is to make nanotechnology safer. While the use of small-angle neutron scattering (SANS) is limited to a few instruments in the world, small-angle X-ray scattering (SAXS) is widely accessible, with an upward trend. The example of core-shell particles shows how simple their analysis is with data from an Anton Paar laboratory system. Here, SAXS is a central tool for the development of new reference materials based on poly(methyl) acrylate-PVDF core-shell particles. The dimensions of the cores and shells can be precisely determined. A detailed analysis makes it possible to show that the cores contain fluorinated and nonfluorinated polymers, whereas the shell consist only of PVDF. This core-shell particles with a diameter around 40 nm show a significantly higher PVDF beta phase content than the PVDF homopolymer when using an emulsion polymerization technique. This finding is of importance with respect to applications in electroactive devices.
Modeling is an important tool for understanding a physical phenomenon. It helps to interpret results of experiments and optimize experimental parameters for obtaining a desirable result. Modeling laser induced plasma is beneficial for many scientific and industrial fields, e.g., analytical chemistry, pulsed laser deposition, plasma enhanced chemical vapor deposition, laser welding, additive manufacturing etc. In this presentation, a personal experience in development of a physical model of laser induced plasma will be given in a chronological sequence starting from early 2000th and until now.
Over the time, the model evolved from its simple analytical form that described plasma emission spectra to its current numerical form that describes plasma dynamics, chemistry, and interaction with a substrate surface. Several examples will be given for the application of the model to practical problems such as spectroscopic chemical analysis, plasma enhanced chemical vapor deposition, and surface modification by laser ablation.
A liquid crystalline mainchain conjugated polymer for polarized electroluminescence applications
(1997)
For versatile applications, including vacuum instrumentation, a liquid cell was developed. Using ultra-thin windows, this cell enables X-ray Absorption spectrometry in the soft X-ray range which is in particular interesting for the analysis of organic molecules in liquids or at the solid-liquid interface.
NEXAFS of a protein at N K-edge and of chlorophyll a at Mg K-edge is demonstrated.
The repair of earthen structures is not an easy task. Earth as a construction material has comparatively weak mechanical properties. It is also susceptible towards liquid water, were it can lose cohesion very quickly if certain moisture contents are exceeded. Repair concepts of structures built with such materials are therefore challenging. Historical earthen structures often exhibit damages in form of extensive cracking, which may have been caused by static or dynamic loads. Frequently these cracks are insufficiently or inappropriately repaired because of lack of knowledge and / or technology. In particular, the behaviour of crack repair by grouting poses a challenge in earthen materials and demands specific requirements for the grouting mortar, such as low water content, good water retention, low shrinkage. Grouting materials require additional specifications such as compatible strengths and Young’s modulus as well as good adhesion to the earthen substrates. In addition, grouts have to be sufficiently flowable to fill small cracks and voids without segregation or bleeding. Therefore, the rheological behaviour has to be well understood and controlled to gain the desired effects.The repair of cracks in earthen buildings is traditionally done by stuffing manually mortar into the gap. Naturally, this method is only usable for cracks with large widths. Another disadvantage is that cracks going through thicker walls cannot be completely reached by the tools used for stuffing the mortar into the crack. Lime based grouts for earthen materials were usually used for re-attachment of plasters but less for structural reasons.Due to the nature of earthen materials grouts based on formulated or hydraulic lime (according to the definition in EN 459-1) have to meet considerable demands on a variety of properties, which are related to compatibility, durability and in particular to the ability of being injected. The goal of this study was to create a grout, which can be used to re-establish structural continuity in cracked earthen masonry or other massive earth walls (rammed earth and cob) with the focus on grouting cracks. The grout material was based on hydrated lime (calcium hydroxide) with additions of pozzolana and lime stone filler.
A journey in science from a graduate student in physical chemistry to head of division biophotonics
(2024)
I will provide a personal overview of the most important steps of my career in science, a journey from a graduate student in physical chemistry in an environment dominated by male-scientists over a postdoc with a female professor in the US to the leader of a research group, head of division Biophotonics at BAM. This will include my choices of research topics, how I learnt to write well cited publications, even on topics such as reference materials and quality assurance,1-4 and eventually started to give lectures at Free University Berlin granting me the right to act as first supervisor of undergraduate and graduate students.
Reliable analysis of chemical indicators in water, sediment and soil samples for the purpose of environmental pollution assessment poses one of the greatest analytical challenges, having in mind the complexity of sample matrix and low concentrations of pollutants. Organics (pesticides, PAHs, PCBs, etc.) and heavy metals (Hg, Cd, Ni, Pb and As) represent target parameters. Laboratories performing sampling and tests in this field regulated by respective EU directives, need strong support in terms of providing them with appropriate matrix CRMs enabling the process of quality control. NMIs and DIs with proven metrological capabilities for the production and certification of such materials are necessary for the provision of quality data. This project is aiming to develop capacity to produce CRMs for environmental analysis by transferring the theoretical and practical know-how between the partners and combining their skills to focus on environmental CRM production in accordance with ISO Guide 34. Production process includes good manufacturing practices for processing materials, method development and validation for homogeneity, stability and characterisation tests, characterisation of selected analytes together with additional information about matrix constituents, the calculation of individual uncertainties (between units inhomogeneity, long term stability, characterisation) and combination of uncertainties to determine overall uncertainty of the matrix reference materials. Inter laboratory comparison registered as EURAMET project is set as the ultimate project outcome, confirming the partners’ capabilities in applying newly acquired skills.
This project aims to develop capacity to produce certified reference materials (CRMs) for environmental analysis by transferring know-how between the partners and combining their skills to focus on environmental CRM production. The production process includes good manufacturing practices for processing materials, method development, the validation and application of homogeneity, stability and characterisation tests, the calculation of individual uncertainties (between-unit inhomogeneity, long term stability, characterisation) and combination of uncertainties to determine overall uncertainty of the matrix reference materials. An inter laboratory comparison registered as a EURAMET project is set as the ultimate project outcome, confirming the partners’ capabilities in applying newly acquired skills.
This project aims to develop capacity to produce certified reference materials (CRMs) for environmental analysis by transferring know-how between the partners and combining their skills to focus on environmental CRM production. The production process includes good manufacturing practices for processing materials, method development, the validation and application of homogeneity, stability and characterisation tests, the calculation of individual uncertainties (between-unit inhomogeneity, long term stability, characterisation) and combination of uncertainties to determine overall uncertainty of the matrix reference materials. An inter laboratory comparison registered as a EURAMET project is set as the ultimate project outcome, confirming the partners’ capabilities in applying newly acquired skills.
A hyper reduced domain decomposition approach for modeling nonlinear heterogeneous structures
(2019)
Many of today's problems in engineering demand reliable and accurate prediction of failure mechanisms of mechanical structures. Herein it is necessary to take into account the often heterogeneous structure on the fine scale, to capture the underlying physical phenomena. However, an increase of accuracy by dissolving the fine scale inevitably leads to an increase in computational cost. In the context of multiscale simulations, the FE2 method is widely used. In a two-level computation, the fine scale is depicted by a boundary value problem for a representative volume element (RVE), which is then solved in each integration point of the macro scale to determine the macroscopic response. However, the FE2 approach in general is computationally expensive and problematic in the special case of concrete structures. Here rather large RVEs are necessary to sufficiently represent the meso-structure, such that separation of scales cannot be assumed.
Therefore, the aim is to develop an efficient approach to modeling nonlinear heterogeneous structures using domain decomposition and reduced order modeling.
In our (dramatically understaffed) X-ray scattering laboratory, developing a systematic, holistic methodology1 let us provide scattering and diffraction information for more than 2100 samples for 200+ projects led by 120+ collaborators over the last five years. Combined with universal, automat-ed data correction pipelines, as well as our analysis and simulation software, this led to more than 40 papers2 in the last 5 years with just over 2 full-time staff members.
While this approach greatly improved the consistency of the results, the consistency of the samples and sample series provided by the users was less reliable nor necessarily reproducible. To address this issue, we built an EPICS-controlled, modular synthesis platform to add to our laboratory. To date, this has prepared over 1200 additional (Metal-Organic Framework) samples for us to meas-ure, analyse and catalogue. By virtue of the automation, the synthesis of these samples is automat-ically documented in excruciating detail, preparing them for upload and exploitation in large-scale materials databases alongside the morphological results obtained from the automated X-ray scat-tering analysis.
Having developed these proof-of-concepts, we find that the consistency of results are greatly im-proved by virtue of their reproducibility, hopefully adding to the reliability of the scientific findings as well. Additionally, the nature of the experiments has changed greatly, with much more emphasis on preparation and careful planning. This talk will discuss the advantages and disadvantages of this highly integrated approach and will touch upon upcoming developments.
The common characterization and identification of pollen is a time-consuming task that mainly relies on microscopic determination of the genus-specific pollen morphology. A variety of spectroscopic and spectrometric approaches have been proposed to develop a fast and reliable pollen identification using specific molecular information. Amongst them, matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS) shows a high potential for the successful investigation of such complex biological samples. Based on optimized MALDI sample preparation using conductive carbon tape, the application of multivariate statistics (e.g. principal components analysis, PCA) yields an enormous improvement concerning taxonomic classification of pollen species compared to common microscopic techniques.
Since multivariate evaluation of the recorded mass spectra is of vital importance for classification, it’s helpful to implement the applied sequence of standard Matlab functions into a graphical user interface (GUI). In this presentation, a stand-alone application (GUI) is shown, which provides multiple functions to perform fast multivariate analysis on multiple datasets. The use of a GUI enables a first overview on the measured dataset, conducts spectral pretreatment and can give classification information based on HCA and PCA evaluation. Moreover, it can be used to improve fast spectral classification and supports the development of a simple routine method to identify pollen based on mass spectrometry.
Driven steel piles are commonly used as deep foundations for a wide range of engineering structures, particularly in the offshore branch. They are also an interesting example among the broad spectrum of geotechnical applications where the fluid-solid interaction at the pore-scale can play a major role for the macromechanical behaviour of the whole system.
In the context of the geotechnical practice for offshore wind-farm structures, both the industrial design and the actual dimensions of the large piles used as foundations in the seabed are often driven by factors such as the soil resistance to driving (SRD), which are still not well understood and often estimated based on mere empirical correlations or overly simplified one-dimensional models. In particular, the role of the micromechanical effects during the installation process (e.g. local dilatancy or contractancy) and their consequences on the pore pressure levels at the pile-tip and on the effective resistance to driving, are generally either disregarded or at most assumed to be covered by the simplified engineering “black-box” solutions.
Here, we propose a general framework to address such local aspects of a geotechnical application involving fluid-saturated soils while retaining the focus on the micro-scale phenomena. We advocate for an approach that combines the relative simplicity of the Discrete Element Method (DEM) for the solid mechanics with the capabilities of the Lattice Boltzmann Method (LBM) for the fluid dynamics. In this sense, we aim to compile some useful techniques and practical recommendations for an efficient GPU-based implementation of a micromechanical LBM-DEM simulation tool.
Systems that assess the driving styles and provide a feedback about the driving style (ECO driving App; Ecological Drive Display on Dashboard). Smoothness of driving, with decelerations and accelerations in a given range. -The issue of safety Vs Eco driving –Keeping the right distance with the vehicle in front.
A genetic toolbox for exploring the life style of the rock-inhabiting black fungus Knufia petricola
(2020)
After their discovery on rock surfaces in cold and hot deserts, a polyphyletic group of ascomycetous black fungi was found to dominate a range of hostile environments – natural and man-made, from salterns to dishwashers, roofs and solar panels. Together with bacteria and algae they may establish subaerial biofilms and cause weathering of the surfaces they grow on. Their impressive survival abilities as well as their constitutive protective pigmentation and cluster-like microcolony organisation are similar in environmental isolates as well as in heat-tolerant opportunistic pathogens of animals and humans. The exact genetic properties that ensure their survival in extreme environments can be studied if some black fungi were amenable to genetic manipulations. We selected the rock-inhabiting fungus Knufia petricola (class Eurotiomycetes, order Chaetothyriales) that grows moderately in axenic culture and exhibits all the characteristics of microcolonial black fungi such as yeast-like cell growth, absence of reproductive structures and constitutive dihydroxynaphthalene (DHN) melanogenesis (Nai et al. 2013, Fungal Genet Biol). We developed protocols to efficiently generate and transform protoplasts resulting in stable homokaryotic transformants by targeting genes involved in pigment synthesis and expressing fluorescent reporter genes. Hence, endogenous and foreign genes can be expressed from episomal AMA1-containing plasmids and genome-integrated DNA constructs. Moderate rates of homologous recombination allow for both ectopic and targeted integrations. CRISPR-Cas9 was further validated as a strategy for obtaining selection marker-free mutants and silencing via RNA interference as an approach to study essential genes. Availability of this genetic toolbox and an annotated genome sequence of the strain A95 is paving the way for studying interactions of K. petricola with environmental stressors, material surfaces, soil matrices and phototrophic symbionts.
A Genetic Toolbox for Exploring the Life Style of the Rock-inhabiting Black Fungus Knufia petricola
(2019)
After their discovery on rock surfaces in cold and hot deserts, a polyphyletic group of ascomycetous black fungi was found to dominate a range of hostile environments – natural and man-made, from salterns to dishwashers, roofs and solar panels. Together with bacteria and algae they may establish sub-aerial biofilms and cause weathering of the surfaces they grow on. Their impressive survival abilities as well as their constitutive protective pigmentation and cluster-like microcolony organisation are similar in environmental isolates as well as in heat-tolerant opportunistic pathogens of animals and humans. The exact genetic properties that ensure their survival in extreme environments can be studied if some black fungi were amenable to genetic manipulations. We selected the rock-inhabiting fungus Knufia petricola (class Eurotiomycetes, order Chaetothyriales) that grows moderately in axenic culture and exhibits all the characteristics of black yeasts such as yeast-like cell growth, absence of reproductive structures and constitutive dihydroxynaphthalene (DHN) melanogenesis. For this environmental strain we developed protocols to efficiently generate and transform protoplasts resulting in stable homokaryotic transformants by targeting genes involved in pigment synthesis and expressing fluorescent reporter genes. Hence, endogenous and foreign genes can be expressed from episomal AMA1-containing plasmids and genome-integrated DNA constructs. Moderate rates of homologous recombination allow for both ectopic and targeted integrations. CRISPR-Cas9 was further validated as a strategy for obtaining selection marker-free mutants and silencing via RNA interference as an approach to study essential genes. Availability of this genetic toolbox and an annotated genome sequence is paving the way for studying interactions of K. petricola and other black yeasts with environmental stressors, material surfaces, soil matrices and phototrophic symbionts.
Synthetic peptide pools are used in antigen-specific T-cell assays, which are an important part in vaccine and immunotherapeutic clinical trials. As the analytical characterization is challenging due to the similarity of the single peptides or is expensive due to isotope labeled standards, usually only a pre-characterization of the single peptides is performed. However, a regular quality control of the peptide mix would be highly desirable. Therefore, a cost-efficient high performance liquid chromatography-high resolution mass spectrometry (HPLC-HRMS) method for quality control of a model peptide pool is developed.
Peptides were synthesized using peptides&elephants proprietary libraries of individual peptides (LIPS) technology and purified by reversed-phase chromatography to > 90% each. The lyophilized single peptides were combined to a model peptide pool and analyzed by reversed-phase high-performance capillary liquid chromatography coupled to an orbitrap mass spectrometer. Separation was performed on a capillary reversed phase column (2 μm, ID x L 300 μm x 150 mm) with a linear gradient of acetonitrile + 0,05% trifluoroacetic acid.
After optimizing the injection mode, the gradient elution, the temperature and the additives a model peptide pool was separated. The extracted ion chromatogram (XIC) was studied to confirm the exact masses.
By combination of capillary HPLC and HRMS a new cost-efficient quality control method could be developed for the separation and identification of complex synthetic peptide pools.
The response of many geotechnical systems, whose structural behavior depends on shearing effect, is closely related to soil structure interaction phenomenon. Experimentally it is found that the localisation of these effect happens at a narrow soil layer next to the structure. Numerically, this behavior can be modelled through interface elements and adequate constitutive models. In this work, a constitutive model in the framework of Generalized Plasticity for sandy soils has been chosen to be adapted for the interface zone.
From the direct shear experiments a sandy soil at loose and dense states under different normal pressures is considered. The adapted constitutive model is able to reproduce contraction and dilatation of the soil according to its relative density and it shows a good agreement with the experimental data.
The presentation gives an overview about the testing of packagings according to the UN-Recommendations. After an introduction of the worldwide recommendations and the European regulations some packaging tests are presented. Examples of the current work of the UN Subcommittee on packaging testing and some on going research on packaging tests are presented.
The main solidification parameters, namely the crystal axis, the growth rate, and the cross-sectional area of the columnar crystal control the primary microstructure and thus the final weld seam properties.
Limited understanding of solidification parameters due to complexities in experimental and theoretical weld pool boundary determination and
its mathematical description.
Application of local Lamé curves for efficient weld pool boundary reconstruction Derivation of general analytical solutions for the main solidification parameters of a two-dimensional columnar crystal growth during laser beam welding of thin steel sheets.
The Lamé curves approximation technique was successfully applied for the reconstruction of the rear part of the two-dimensional steady-state weld pool boundary. General analytical expressions for the main solidification parameters, namely the crystal axis, the growth rate and the cross-sectional area of the crystal were derived.
The derived expressions and herewith obtained results were verified and validated by comparing them to known theoretical solutions and experimental measurements. Dimensionless analysis of the influence of the size and shape of the rear weld pool boundary on the solidification parameters was provided.
The derived general solutions and the analysis provided allow for critical welding parameters to be estimated and adapted accordingly to improve the welding process.
Support structures of wind turbines in German offshore wind farms are regularly inspected. Currently, inspection outcomes are generally not systematically recorded. This prevents their consistent handling and processing, which is a key requirement to enable an efficient structural integrity management. As part of the DiMoWind-Inspect project, a data model and reference designation system for such inspection results is developed to facilitate their identification, localization, quantification, tracing and linking throughout the lifetime of a wind farm and beyond. The inspection results together with structural health monitoring results and information on repairs form the basis for assessing and predicting the structural condition, estimating the remaining lifetime, and planning of future inspections, structural health monitoring, and repairs. As a basis for developing a digital structural integrity management, a generic framework is proposed in this paper, which describes the stakeholders, data, models, processes and workflows of the integrity management of support structures in offshore wind farms and their interrelations. The framework adopts a building information modelling approach to describe the information relevant to the structural integrity management. The central digital space of the framework is a common data environment. An implementation of the framework will enable a digital structural integrity management in which inspection, structural health monitoring, repair, assessment and planning outcomes generated throughout the life cycle of a wind farm can be consistently collected, managed, shared and processed by the relevant shareholders.
The new crack luminescence method offers the possibility of making fatigue surface cracks in metallic materials more visible during inspections through a special coating system. This coating system consists of two layers, whereby the first layer has fluorescent properties and emits visible light as soon as it is irradiated by UV light. The top layer is black and is designed to prevent the fluorescent layer from emitting if no crack develops in the underlying material.
The technique proved particularly useful in a wide variety of fatigue tests of steel components under laboratory conditions. Moreover, it has the potential to be used in various industrial applications. To enable industrial deployment and integration into maintenance strategies, a concept study is developed in this contribution, resulting in a qualification framework that can serve as a foundation for determining the reliability of the crack luminescence system in terms of a probability of detection curve. Within this study, factors causing measurement variability and uncertainty are being determined and their influences assessed. Due to the extension of the system by a moving computer vision system for automated crack detection using artificial intelligence, additional long-term effects associated with structural health monitoring systems need to be incorporated into an extended probability of detection study as part of the technical justification.
Finally, important aspects and findings related to design of experiments are discussed, and a framework for reliability assessment of a new optical crack monitoring method is presented, emphasizing the influence of various uncertainty parameters, including long-term effects such as system ageing.
By means of a small-scale truss bridge, the ability of the Measurement- and Model-based Structural Analysis to detect and localize damage was examined. Although there was no noteworthy difficulty in detecting damage, it turned out that damage localization responds sensitively to systematic influences, i.e. non-modelled properties of the mechanical model. Therefore, another experiment is being conducted to re-examine the Measurement- and Model-based Structural Analysis. For this purpose, the bending test is carried out as it has been already theoretically respectively numerically discussed. In this attempt, the systematic influences such as residual stress are kept as low as possible.
The Kemnitz et al. developed a fluorolytic route to access metal fluorides 1 such as AlF3 2 and MgF2 3 which possess a high surface area. In aluminium-based systems, the synthetic approach led to amorphous xerogels that can be further converted into Lewis superacids.2 Still, despite zirconium oxide being described as a stronger Lewis acid than other metal oxides4 zirconium fluoride-based materials have only recently been reported or investigated. In this work we extend the class of amorphous Lewis acidic heterogeneous catalysts to an amorphous ZrF4 that is active in C-F bond activation.
Kemnitz et al. developed a fluorolytic route to access metal fluorides 2 such as AlF3 3 and MgF2 4 which possess a high surface area. In aluminium-based systems, the synthetic approach led to amorphous xerogels that can be further converted into Lewis superacids.3 Still, despite zirconium oxide being described as a stronger Lewis acid than other metal oxides 4 zirconium fluoride-based materials have only recently been reported or investigated. 6 In this work we extend the class of amorphous Lewis acidic heterogeneous catalysts to an amorphous ZrF4 that is active in C-F bond activation.
We present our approach and methodology for simulating piping erosion, which occurs during the installation process of suction bucket foundations for offshore wind turbines. We show several simulations and analyze the hydrodynamic and contact forces acting on the granular fabric and the differential pressure of the fluid phase. We demonstrate weak scaling performance on the LUMI supercomputer with a parallel efficiency of up to 90% for 4096 Graphics Compute Dies.
The Scaled Boundary Finite Element Method (SBFEM) for prismatic structures is an efficient method for the simulation of acoustic behavior. Hence a further development of the method is of great interest. The wave propagation can be calculated for isotropic and anisotropic materials in solids. As for many applications the acoustic behavior in fluids and the behavior in case of fluid-structure interaction (FSI) is subject of research, the implementation of a fluid model in SBFEM for prismatic structures is needed. In case of FSI the coupling between fluid and solid domains can be performed without additional effort when describing both domains in the same variables. Hence a displacement-based fluid description is used. As the discretized formulation leads to spurious modes, a penalty method to suppress the unphysical behavior is chosen. To validate the derived model a comparison with analytical solutions of purely fluid domains is made. As to verify that in case of FSI the model shows the right behavior, dispersion curves of water-filled pipes are calculated and compared to results obtained with Comsol.
A few Aspects of the Current Understanding of DPF Materials Thermal and Mechanical Properties
(2016)
Bi-continuous porous ceramics for filtration applications possess a particularly complicated microstructure, whereby porosity and solid matter are intermingled. Moreover, they very often display a microcrack network, resulting from the strong anisotropy of the microscopic coefficient of thermal expansion (CTE). Mechanical, thermal, and filtration properties, they all strongly depend on the morphology of both solid matter and porosity, and on the degree of microcracking (also, the microcrack density), which is in its turn tightened to the grain size.
Recent industrial and academic research has enormously progressed in understanding the microstructure-property-performance relationships existing in these complicated materials:
- Using 3D computed tomography (CT) at different resolutions, and several X-ray refraction-based techniques, porosity and pore orientation could be quantitatively evaluated (in the example of cordierite).
- Neutron and X-ray Diffraction has been instrumental to disclose a) the non-linear character of the stress-strain response, and b) the negative CTE of these materials, and its consequences on the materials properties;
- Analytical and numerical models have been elaborated to rationalize these behaviours in terms of microcracking and microstructural features.
Here these results will be reviewed, and a outlook at (some of the) outstanding problems will be given.
A model is presented that employs a unified approach for
simulating the photon energy spectra for transmission and direct
beam targets composed of arbitrary homogeneous materials. In order
to achieve this, a detailed model of electron transport within the
target is employed. The validity of the developed model is shown
through comparisons with Monte Carlo simulations as well as
measurements for a number of different configurations.
Diclofenac (DCF) is a non-steroidal anti-inflammatory drug (NSAID) with analgetic, anti-inflammatory, and antipyretic properties. The mechanism of action of diclofenac, like that of other NSAIDs, involves inhibition of cyclooxygenase (COX-1 and COX-2). Another pharmacological effect is preventing of prostaglandin synthesis in vitro. Prostaglandins are mediators of inflammation, because diclofenac is an inhibitor of prostaglandin synthesis.
A method has been developed to analyse for diclofenac (DCF) in the milk.
Here, we describe a fast and simple extraction method for the determination of per- and polyfluorinated alkyl substances (PFASs) utilizing extractable organic fluorine (EOF) sum parameter analysis and high resolution-continuum source-graphite furnace molecular absorption spectrometry (HR-CS-GFMAS) in soil samples. After extraction and separation of inorganic and organic fluorinated compounds, organically bound fluorinated compounds were indirectly determined via the molecular absorption of gallium mono-fluoride at 211.248 nm. The implementation of the decisions of the “Stockholm Convention on persistent organic pollutants” as well as the “Protocol on Persistent Organic Pollutants of the Convention on Long-Range Transboundary Air Pollution” of the UNECE include the reduction respectively the elimination of PFASs in the environment. Currently, regulations aim to target single compounds (mostly C8-PFAS). But the PFAS group includes over 4700 substances, which are potentially persistent and toxic, thus target analytical approaches are not suitable for a holistic approach investigating the PFAS pollutant situation. Furthermore, forbidden PFASs are substituted by short-chain PFASs, thus the number of unknow substances is steadily increasing. For this reason, sum parameter approaches are more suitable to investigate and assess the pollution situation as well as derive exposure limits. Our developed analytical method was successfully applied to determine PFASs in soil samples from a polluted site. In view of steadily increasing numbers of PFAS substances, our method will make an important contribution in assessing the pollution situation as well as support policy makers in deriving exposure limits for PFAS in the future.
Per- and polyfluorinated alkyl substances (PFASs) are a substance class of over 4730 individual compounds. Several PFASs are extremely persistent, bioaccumulative and toxic. The analysis of PFASs is challenging because of their different chemical and physical properties as well as the high number of target substances. Target-based approaches (e.g., LC-MS/MS) are limited to the availability of analytical grade standards and are not suitable for the analysis of new/unknown PFASs and transformation products. Therefore, PFAS sum parameter methods become increasingly important to indicate a realistic PFAS pollution level.
PFAS sum parameters compromise the proportion of organically bound fluorine that can either be extracted (EOF) or adsorbed to activated carbon (AOF). For the instrumental analysis of such sum parameters, a fluorine selective detector is needed. High resolution-continuum source-graphite furnace molecular absorption spectrometry (HR-CS-GFMAS) is a sensitive and highly selective tool for indirect fluorine determination. The method is based on the in situ formation of diatomic gallium-mono fluoride (GaF) in a graphite furnace at a temperature of 1550°C. The molecular absorption of GaF can be detected at its most sensitive wavelength at 211.248 nm providing limits of quantification of c(F) 2.7 µg/L.
Here, we describe a fast and simple extraction method for the determination of the EOF using HR-CS-GFMAS in soil samples. Common approaches for the EOF determination use solid phase extraction (SPE). To omit the bias of this time consuming and expensive step we optimized a fast and simple SPE-free extraction method. The developed extraction method consists of a liquid-solid extraction using acidified methanol. Comparison of the method with and without an SPE clean-up step revealed a drastic underestimation of EOF concentrations using SPE. In the next step, the applicability of our method was tested for other solid matrices. In view of steadily increasing numbers of PFASs, our method will make an important contribution in assessing the pollution situation as well as support policy makers in deriving exposure limits for PFASs in the future.
Here, we describe a fast and simple extraction method for the determination of per- and polyfluorinated alkyl substances (PFASs) utilizing extractable organic fluorine (EOF) sum parameter analysis and high resolution-continuum source-graphite furnace molecular absorption spectrometry (HR-CS-GFMAS) in soil samples. After extraction and separation of inorganic and organic fluorinated compounds, organically bound fluorinated compounds were indirectly determined via the molecular absorption of gallium mono-fluoride at 211.248 nm. The implementation of the decisions of the “Stockholm Convention on persistent organic pollutants” as well as the “Protocol on Persistent Organic Pollutants of the Convention on Long-Range Transboundary Air Pollution” of the UNECE include the reduction respectively the elimination of PFASs in the environment. Currently, regulations aim to target single compounds (mostly C8-PFAS). But the PFAS group includes over 4700 substances, which are potentially persistent and toxic, thus target analytical approaches are not suitable for a holistic approach investigating the PFAS pollutant situation. Furthermore, forbidden PFASs are substituted by short-chain PFASs, thus the number of unknow substances is steadily increasing. For this reason, sum parameter approaches are more suitable to investigate and assess the pollution situation as well as derive exposure limits. Our developed analytical method was successfully applied to determine PFASs in soil samples from a polluted site. In view of steadily increasing numbers of PFAS substances, our method will make an important contribution in assessing the pollution situation as well as support policy makers in deriving exposure limits for PFAS in the future.
A dynamic and quasi-distributed sensor principle for simultaneous measurement of length changes and optical power changes between reflection points in an optical fiber is presented. The technique is based on the incoherent optical frequency domain reflectometry (I-OFDR). The calculation of phase and amplitude changes from few measurement points in the frequency domain yields precise and dynamic length and optical power change results up to 2 kHz and μm-resolution. Test results showing the deformation of a masonry building under seismic load are presented. Promising fields of application for this technique are the structural health monitoring sector and chemical process control.
Bisphenol A (BPA), a monomer commonly used to manufacture polycarbonate plastic products and the epoxy resins that line metal cans, has resulted in an increased human exposure because both products come in contact with food and beverages. Since BPA is an endocrine disruptor excessive exposure could affect human reproductive function. In response, various countries have adopted a range of measures, from voluntary reductions to outright bans of BPA in some products, mostly in baby bottles and containers for canned foods. Pregnancy-test like strips in combination with hand-held readers provide a simple and versatile tool to determine the presence of bisphenol A quantitatively, making it a very attractive analytical approach especially for on-site applications at critical points, such as environmental analysis, consumer protection, and materials testing.
In Near Edge X-Ray Absorption Fine Structure (NEXAFS) spectroscopy X-Ray photons are used to excite tightly bound core electrons to low-lying unoccupied orbitals of the system. This technique offers insight into the electronic structure of the system as well as useful structural information. In this work, we apply NEXAFS to two kinds of imidazolium based ionic liquids ([CnC1im]+ [NTf2]− and [C4C1im]+ [I]−). A combination of measurements and quantum chemical calculations of C K and N K NEXAFS resonances is presented. The simulations, based on the transition potential density functional theory method (TP-DFT), reproduce all characteristic features observed by the experiment. Further, a detailed assignment of resonance features to excitation centers leads to a consistent interpretation of the spectra.
The weld pool dynamics and shape play a fundamental role in keyhole mode welding. The presented work aims the experimental and numerical investigation of the influence of the weld pool characteristics on the formation of hot cracking. The experimental procedure allows recording the molten pool in the longitudinal section of a butt joint configuration of 15 mm thick structural steel and transparent quartz glass by using a high-speed video camera and two thermal imaging cameras. The observations show that the dimensions of the weld pool vary depending on the depth. The regions close to the surface form a teardrop-shaped weld pool. A bulge-region and its temporal evolution are observed approximately in the middle of the depth of the weld pool, where hot cracking appears. A numerical framework including models for the weld pool dynamics, global temperature field, transient stress state, crystal growth, diffusion and macro-segregation and subroutines for their one-way couplings is developed. The numerically obtained and experimentally observed results are in a good agreement. It is shown that the bulge-region leads to a delay in the solidification behavior, increased temporal tensile stresses and accumulation of impurities in the defect region and hence enhance the probability of hot cracking formation.
The weld pool dynamics and shape play a fundamental role in keyhole mode welding. The presented work aims the experimental and numerical investigation of the influence of the weld pool characteristics on the formation of hot cracking. The experimental procedure allows recording the molten pool in the longitudinal section of a butt joint configuration of 15 mm thick structural steel and transparent quartz glass by using a high-speed video camera and two thermal imaging cameras. The observations show that the dimensions of the weld pool vary depending on the depth. The regions close to the surface form a teardrop-shaped weld pool. A bulge-region and its temporal evolution are observed approximately in the middle of the depth of the weld pool, where hot cracking appears. A numerical framework including models for the weld pool dynamics, global temperature field, transient stress state, crystal growth, diffusion and macro-segregation and subroutines for their one-way couplings is developed. The numerically obtained and experimentally observed results are in a good agreement. It is shown that the bulge-region leads to a delay in the solidification behavior, increased temporal tensile stresses and accumulation of impurities in the defect region and hence enhance the probability of hot cracking formation.
The multi-phase approach has proven to widen the application properties of high entropy alloys. After a decade of testing different alloys in the Al-Co-Cr-Cu-Fe-Ni-Ti family the Al10Co25Cr8Fe15Ni36Ti6 was found to be a solid base for more fine-tuned microstructural optimization. Following the example of superalloys, the Al10Co25Cr8Fe15Ni36Ti6 alloy aims for a γ/γ' microstructures in order to guarantee a good microstructural stability at high temperatures. The shape and volume fraction of the γ' particles is known to influence the mechanical properties of superalloys, and they do so in the high entropy family as well [1]. Shape, misfit and creep properties of several modified versions of the Al10Co25Cr8Fe15Ni36Ti6 alloy are compared and discussed in this talk.