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- 8.2 Zerstörungsfreie Prüfmethoden für das Bauwesen (1)
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.
MaUS is an acronym for ”Material und Umweltsimulationen“. Plastics are in the focus of environmental politics due to their long term behaviour and therefore to their persistence. Not only that they appear as visible contaminants in the sea and on the beach, but their unknown behaviour concerning their additives as well as the related transformation products are anxious. Therefore, we wish to establish a certified reference method to provide a method for testing plastics.
Aim of this project is the development of fast motion standard reference methods for testing plastics regarding to their environmental compatibility. To establish these testing methods, we use polystyrene (PS) and polypropylene (PP) with environmental relevant brominated flame retardants, known for their persistent bioaccumulative and toxic (PBT) properties. In case of PS the material contains 1 wt% of 1,2,5,6,9,10-hexabromocyclododecan (HBCD) and in case of PP 0.1 wt% bromodiphenylether (BDE-209), which is known as a substance of very high concern (SVHC). Furthermore, we use polycarbonate (PC), which is still used as material in baby flasks and releases Bisphenol A (BPA), an estrogenic active substance.
As an additional material PTFE is used for its importance as a source for two ubiquitous environmental substances (PFOS and PFOA), whose toxicological effects are still incompletely known.
The focus in this current work is set on the transfer of potential pollutants out of applied materials mentioned above into environmental compartments like water or soil. Here an accelerated aging concept should be developed to shortened time consuming natural processes. For these resulting simulations we use a programmable weathering chamber with dry and wet periods and with high and low temperatures. These programmes run for several weeks and according to a defined sampling schedule we take water samples, run a clean-up procedure by SPE (Molecular imprinted polymers (MiPs) resp. polymer based cartridges (Waters Oasis HLB)) and analyse them by HPLC-UV resp. LC-MS/MS. Of most interest in case of flame retardants are photocatalytic transformation products. Therefore, we conduct a non-target-screening resp. a suspected target-screening by LC-MS/MS and HRMS.
Die Entwicklung von Wasserstoffbarrieren aus Glas erfordert die genaue Messung geringster H2-Permeabililtäten. Bisherige Untersuchungen haben gezeigt, dass die VHE-Pulvermethode diesbezüglich eine besonders hohe Empfindlichkeit bietet. Hierbei wird die isotherme Gasabgabe aus sphärischen Partikeln im Rahmen klassischer Diffusionsmodelle gefittet und daraus der Diffusionskoeffizient bestimmt. Für die Untersuchung von Gläsern mit möglichst geringer H2-Permeabilität ist jedoch eine Validierung der Genauigkeit der Methode notwendig. Vor diesem Hintergrund erfolgte die numerische Modellierung der H2-Abgabe mit Hilfe des Programms COMSOL Multiphysics®. Im Poster wird der Einfluss der Korngrößenverteilung der Glaspulverpartikel, der Partikelform sowie der Effekt einer nichthomogenen H2-Startverteilung auf die mittels Pulvermethode ermittelten Diffusionskoeffizienten diskutiert.
Dose enhancement by gold nanoparticles (AuNP) increases the biological effectiveness of radiation damage in biomolecules and tissue.
To apply them effectively during cancer therapy their influence on the locally delivered dose has to be determined. Hereby, the AuNP locations strongly influence the energy deposit in the nucleus, mitochondria, membrane and the cytosol of the targeted cells. In this work, two newly developed continuous and discrete-geometric models for simulations of AuNP in cells are presented. We apply the presented models in Monte-Carlo particle scattering simulations to characterize the energy deposit in cell organelles by radioactive 198AuNP. They emit beta and gamma rays and are therefore considered for applications
with solid tumors. Differences in local dose enhancement between randomly distributed and nucleus targeted nanoparticles are compared.
Hereby nucleus targeted nanoparticels showed a strong local dose enhancement in the radio sensitive nucleus.
Ionizing radiation damage to DNA plays a fundamental role in cancer therapy. X-ray photoelectron-spectroscopy (XPS) allows simultaneous irradiation and damage monitoring. Although water radiolysis is essential for radiation damage, all previous XPS studies were performed in vacuum. Here we present near-ambient-pressure XPS experiments to directly measure DNA damage under water atmosphere. They permit in-situ monitoring of the effects of radicals on fully hydrated double-stranded DNA. The results allow us to distinguish direct damage, by photons and secondary low-energy electrons (LEE), from damage by hydroxyl radicals or hydration induced modifications of damage pathways. The exposure of dry DNA to x-rays leads to strand-breaks at the sugar-phosphate backbone, while deoxyribose and nucleobases are less affected. In contrast, a strong increase of DNA damage is observed in water, where OH-radicals are produced. In consequence, base damage and base release become predominant, even though the number of strand-breaks increases further.
Dose enhancement by gold nanoparticles (AuNP) increases the biological effectiveness of radiation damage in biomolecules and tissue. To apply them effectively during cancer therapy their influence on the locally delivered dose has to be determined.[1] Hereby, the AuNP locations strongly influence the energy deposit in the nucleus, mitochondria, membrane and the cytosol of the targeted cells. To estimate these effects, particle scattering simulations are applied. In general, different approaches for modeling the AuNP and their distribution within the cell are possible. In this work, two newly developed continuous and discrete-geometric models for simulations of AuNP in cells are presented. [2] These models are applicable to simulations of internal emitters and external radiation sources. Most of the current studies on AuNP focus on external beam therapy. In contrast, we apply the presented models in Monte-Carlo particle scattering simulations to characterize the energy deposit in cell organelles by radioactive 198AuNP. They emit beta and gamma rays and are therefore considered for applications with solid tumors. Differences in local dose enhancement between randomly distributed and nucleus targeted nanoparticles are compared. Hereby nucleus targeted nanoparticels showed a strong local dose enhancement in the radio sensitive nucleus. These results are the foundation for ongoing experimental work which aims to obtain a mechanistic understanding of cell death induced by radioactive 198Au.
Dose enhancement by gold nanoparticles (AuNP) increases the biological effectiveness of radiation damage in biomolecules and tissue. To apply them effectively during cancer therapy their influence on the locally delivered dose has to be determined.[1] Hereby, the AuNP locations strongly influence the energy deposit in the nucleus, mitochondria, membrane and the cytosol of the targeted cells. To estimate these effects, particle scattering simulations are applied. In general, different approaches for modeling the AuNP and their distribution within the cell are possible. In this work, two newly developed continuous and discrete-geometric models for simulations of AuNP in cells are presented. [2] These models are applicable to simulations of internal emitters and external radiation sources. Most of the current studies on AuNP focus on external beam therapy. In contrast, we apply the presented models in Monte-Carlo particle scattering simulations to characterize the energy deposit in cell organelles by radioactive 198AuNP. They emit beta and gamma rays and are therefore considered for applications with solid tumors. Differences in local dose enhancement between randomly distributed and nucleus targeted nanoparticles are compared. Hereby nucleus targeted nanoparticels showed a strong local dose enhancement in the radio sensitive nucleus. These results are the foundation for ongoing experimental work which aims to obtain a mechanistic understanding of cell death induced by radioactive 198Au.
Das Poster stellt ein Konzept zur Bewertung der strukturellen Integrität von havarierten Tankbehältern vor. Es wurde ein dehnungsbasiertes Konzept eingeführt, welches einen Brückenschlag zwischen duktiler Schädigung und dem Integritätszustand des Behälters herstellt. Diese Thematik entspringt aus einem Kooperationsvorhaben der Organisationseinheiten 5.2 und 3.2.
Bei der simulationsunterstützten Planung kritischer Ultraschallprüfaufgaben ist die detaillierte Kenntnis der Parameter der eingesetzten Prüfköpfe von entscheidender Bedeutung. Durch die, in den Regelwerken (DIN EN ISO 22232-2) zugelassenen Toleranzen bei der Herstellung der Prüfköpfe sind einige Prüfkopfparameter nur ungefähr bekannt. Durch die Alterung von Prüfköpfen und Verschleiß können auch Parameter variieren, die nicht vollständig durch die erforderliche Justierung ausgeglichen werden können. Daher sind zusätzlichen Vorversuche oft unvermeidlich. In dieser Arbeit wurden nach einer statistischen Versuchsplanung (DoE) Untersuchungen zur relativen Echo-Empfindlichkeit von konventionellen Prüfköpfen durchgeführt. Die Auswertung wurde für prüfkopfbezogene und personenbezogene Stichproben durchgeführt. Es wird gezeigt, wie weit die Daten um den Zentralwert herum verteilt sind bzw. wie sehr sich das Testobjekt im untersuchten Merkmal unterscheidet. Gerade in Hinblick auf die Beurteilung der intrinsischen Fähigkeit von Prüfverfahren und der Human Factors wird das POD-Analysekonzept zur quantitativen Bewertung der Zuverlässigkeit weiterentwickelt. Die HF-Quantifizierung bezieht sich auf verschiedene Faktoren und Methoden, die in der Veröffentlichung von M. Bertovic et al. [1] ausführlich beschrieben wurden. Die Schritte, die für das Bewertungsverfahren zur POD-Analyse erforderlich sind, werden in der Veröffentlichung von D. Kanzler et al. [2] detailliert dargestellt. Die grundlegenden Anforderungen an die Testkörpersätze für die POD-Analyse wurden in der Publikation von A. Jüngert et al. [3] zusammengefasst. Diesbezüglich wurden mit Hilfe von Simulationsrechnungen die möglichen Abweichungen an Beispielen der im Projekt norm- POD ausgewählten Prüfanordnungen dargestellt. Die Ergebnisse wurden Messungen an Testkörpern gegenübergestellt.
Elastic wave propagation of ultrasound in bituminous road surfaces – simulations and measurements
(2015)
Maintenance costs of road infrastructure are increasing steadily. Adverse environmental impacts on infrastructure get more and more important as well. Therefore, it is important to determine how limited financial resources can be directed with an optimum pay-out. The present study takes first steps towards the usage of low-frequency ultrasound as a tool to evaluate the road condition.
The understanding of human behavior during evacuation processes is an important matter to improve the safety of infrastructures. In many countries, the implementation of performance based codes enables fire safety engineers to use computer based calculation tools to predict and evaluate pedestrian movement and human behavior in buildings. The models are based on experimentally obtained parameters and theoretical models. Pedestrian behavior can be influenced by the characteristics of the buildings (e.g. type of the building) as well as the characteristics of individuals and the pedestrian group.
This paper shows that the approach of Required Safe Egress Time (RSET) / Available Safe Egress Time (ASET) is imprecise with regard on heterogeneous pedestrian groups, because this concept completely neglected the variability’s in individual pre-movement and movement abilities.
GlasDigital
(2023)
Der aktuelle Stand des MateriaDigital1 Projektes GlasDigital wird vorgestellt. Hierbei wird allgemein die Problem- und Zielstellung präsentiert, als auch auf 2 separaten Postern die Ergebnisse. Diese beinhalten zum Einen die smarte Gestaltung der robotergestützten Glasschmelzanlage der BAM inkl. Analytik und zum Anderen die Digitalisierungsbestrebungen im Bereich Glas, d.h. ML-gestützte C-S-P-Simulation, Ontologie für den Werkstoff Glas, Digitaler Zwilling des Gießprozesses.
In-situ monitoring of water dependent DNA and protein radiation damage by near-ambient-pressure XPS
(2023)
X-ray photoelectron-spectroscopy (XPS) allows simultaneous irradiation and damage monitoring. Although water radiolysis is essential for radiation damage, all previous XPS studies were performed in vacuum. Here we present near-ambient-pressure XPS experiments to directly measure DNA damage under water atmosphere. They permit in-situ monitoring of the effects of radicals on fully hydrated double-stranded DNA. Our results allow us to distinguish direct damage, by photons and secondary low-energy electrons (LEE), from damage by hydroxyl radicals or hydration induced modifications of damage pathways. The exposure of dry DNA to x-rays leads to strand-breaks at the sugar-phosphate backbone, while deoxyribose and nucleobases are less affected. In contrast, a strong increase of DNA damage is observed in water, where OH-radicals are produced. In consequence, base damage and base release become predominant, even though the number of strand-breaks increases further.
Im Rahmen des Forschungsprojekts "Artificial Intelligence for Rail Inspection" (AIFRI) wird ein KI-Algorithmus entwickelt, um die Fehlererkennung und Bewertung bei der Auswertung von Schienenprüfungen mittels Ultraschall- und Wirbelstromprüfverfahren zu verbessern. Die Bandbreite möglicher Defekte und die Menge an Einflussgrößen auf die Schienenprüfung ist sehr groß, aber die Prüfdaten aus dem Feld bilden diese Bandbreite nicht balanciert ab und sind unzureichend gelabelt. Durch Simulationen werden große Mengen detailliert gelabelter Daten für relevante Schienenschädigungen und Artefakte bereitgestellt. Aus diesen Daten werden wiederum virtuellen Prüffahrten erstellt, die für das Training und die Validierung der KI genutzt werden können.
In unserem Poster stellen wir die Simulation dieser Ultraschall- und Wirbelstromprüfdaten vor. Dabei gehen wir im Detail auf die Themen CAD-Modellierung, Modellparameter, Simulationssoftware und Signalverarbeitung ein. Wir stellen ausgewählt die Simulation von Head Checks für Wirbelstromprüfverfahren und Bohrungsanrissen für Ultraschallprüfverfahren dar, da das Erkennen dieser Schädigungstypen bei der Schienenprüfung hohe Priorität innehat.
Für die Verifikation der Simulationsergebnisse verweisen wir auf den ebenfalls eingereichten Vortrag „Verifikation von Ultraschall- und Wirbelstromsimulationen bei der Schienenprüfung“.
Das Projekt AIFRI wird im Rahmen der Innovationsinitiative mFUND unter dem Förderkennzeichen 19FS2014 durch das Bundesministerium für Digitales und Verkehr gefördert.
Multifaceted developments for pre-disposal management of low and intermediate level radioactive waste are undertaken in the EC funded project PREDIS. In work package 7, innovations in cemented waste handling and pre-disposal storage are advanced by testing and evaluating. To provide better means for safe and effective monitoring of cemented waste packages including prediction tools to assess the future integrity development during pre-disposal activities, several monitoring and digital tools are evaluated and improved. Both safety enhancement (e. g. less exposure of testing personnel) and cost effectiveness are part of the intended impact. Current methods to pack, store, and monitor cemented wastes are identified, analysed and improved. Innovative integrity testing and monitoring techniques applied to evaluate and demonstrate package and storage quality assurance are further developed. The work includes but is not limited to inspection methods such as muon imaging, wireless sensors integrated into waste packages as well as external package and facility monitoring such as remote fiber optical sensors. The sensors applied will go beyond radiation monitoring and include proxy parameters important for long term integrity assessment (e. g. internal pressure). The measured data will be used in digital twins of the packages for specific simulations (geochemical, integrity) providing a prediction of future behaviour. Machine Learning techniques trained by the characterization of older packages will help to connect the models to the actual data. As data handling, processing and fusion are crucial for both the monitoring and the digital twin model, all data (measured and simulated) will be collected in a joint data base and connected to a decision framework. Finally, the implementation of the improved techniques will be tested at actual facilities. An overview about various relevant tools, their interconnections, and first research results will be shown.
Ionizing radiation damage to DNA plays a fundamental role in cancer therapy. X-ray photoelectron-spectroscopy (XPS) allows simultaneous irradiation and damage monitoring. Although water radiolysis is essential for radiation damage, all previous XPS studies were performed in vacuum. Here we present near-ambient-pressure XPS experiments to directly measure DNA damage under water atmosphere. They permit in-situ monitoring of the effects of radicals on fully hydrated double-stranded DNA. The results allow us to distinguish direct damage, by photons and secondary low-energy electrons (LEE), from damage by hydroxyl radicals or hydration induced modifications of damage pathways. The exposure of dry DNA to x-rays leads to strand-breaks at the sugar-phosphate backbone, while deoxyribose and nucleobases are less affected. In contrast, a strong increase of DNA damage is observed in water, where OH-radicals are produced. In consequence, base damage and base release become predominant, even though the number of strand-breaks increases further.
Ionizing radiation damage to DNA plays a fundamental role in cancer therapy. X-ray photoelectron-spectroscopy (XPS) allows simultaneous irradiation and damage monitoring. Although water radiolysis is essential for radiation damage, all previous XPS studies were performed in vacuum. Here we present near-ambient-pressure XPS experiments to directly measure DNA damage under water atmosphere. They permit in-situ monitoring of the effects of radicals on fully hydrated double-stranded DNA. The results allow us to distinguish direct damage, by photons and secondary low-energy electrons (LEE), from damage by hydroxyl radicals or hydration induced modifications of damage pathways. The exposure of dry DNA to x-rays leads to strand-breaks at the sugar-phosphate backbone, while deoxyribose and nucleobases are less affected. In contrast, a strong increase of DNA damage is observed in water, where OH-radicals are produced. In consequence, base damage and base release become predominant, even though the number of strand-breaks increases further.
Organic peroxides (OP) are thermally unstable and burn rapidly due to exothermic self-decomposition capabilities. Since fireballs can be formed under certain worst case conditions the understanding of burning phenomena and radiation characteristics need to be improved to prevent damage of humans and infrastructure. An appropriate method for real-scale Evaluation can be the use of CFD simulations with the objective of reducing time-consuming and costly outdoor experiments.
Die Simulation von Ultraschallausbreitung ist ein wesentliches Hilfsmittel zur Optimierung von Prüfanordnungen und wird zunehmend in der Prüfvorbereitung eingesetzt. Eisenbahnschienen sind Bauteile mit komplexer Geometrie und im eingebauten Zustand eingeschränkter Zugänglichkeit. Bei der Prüfung im Feld entstehen aus der Schienengeometrie komplexe Echosignale mit Formanzeigen, die schwer zu interpretieren sind.
Für das bessere Verständnis der Schallausbreitung in der Eisenbahnschiene wird diese in einem ersten Schritt mit Hilfe verschiedener Ansätze modelliert. Hierbei werden Finite Elemente Methoden und semi-analytischen Modelle verwendet. In einem zweiten Schritt werden die Ergebnisse der Simulationsmodelle einander gegenübergestellt und mit Messungen an realen Schienen verglichen.
Ziel dieser Untersuchungen ist die Validierung von Simulationsverfahren mit Hilfe von Messdatensätzen und Überprüfung der Anwendbarkeit bei der Bewertung von Ergebnissen der Schienenprüfung.
Die Simulation von Ultraschallausbreitung ist ein wesentliches Hilfsmittel zur Optimierung von Prüfanordnungen und wird zunehmend in der Prüfvorbereitung eingesetzt.
Eisenbahnschienen sind Bauteile mit komplexer Geometrie und im eingebauten Zustand eingeschränkter Zugänglichkeit. Bei der Prüfung im Feld entstehen aus der Schienengeometrie komplexe Echosignale mit Formanzeigen, die schwer zu interpretieren sind.
Für das bessere Verständnis der Schallausbreitung in der Eisenbahnschiene wird diese in einem ersten Schritt mit Hilfe verschiedener Ansätze modelliert. Hierbei werden Finite Elemente Methoden und semi-analytischen Modelle verwendet. In einem zweiten Schritt werden die Ergebnisse der Simulationsmodelle einander gegenübergestellt und mit Messungen an realen Schienen verglichen.
Ziel dieser Untersuchungen ist die Validierung von Simulationsverfahren mit Hilfe von Messdatensätzen und Überprüfung der Anwendbarkeit bei der Bewertung von Ergebnissen der Schienenprüfung.
The change of DNA radiation damage upon hydration: In-situ observations by near-ambient-pressure XPS
(2023)
Ionizing radiation damage to DNA plays a fundamental role in cancer therapy. X-ray photoelectron-spectroscopy (XPS) allows simultaneous irradiation and damage monitoring. Although water radiolysis is essential for radiation damage, all previous XPS studies were performed in vacuum. Here we present near-ambient-pressure XPS experiments to directly measure DNA damage under water atmosphere. They permit in-situ monitoring of the effects of radicals on fully hydrated double-stranded DNA. The results allow us to distinguish direct damage, by photons and secondary low-energy electrons (LEE), from damage by hydroxyl radicals or hydration induced modifications of damage pathways. The exposure of dry DNA to x-rays leads to strand-breaks at the sugar-phosphate backbone, while deoxyribose and nucleobases are less affected. In contrast, a strong increase of DNA damage is observed in water, where OH-radicals are produced. In consequence, base damage and base release become predominant, even though the number of strand-breaks increases further.
The best-known discretization methods for solving engineering problems formulated as partial differential equations are finite difference method (FDM), finite element method (FEM) and finite volume method (FVM). While the finite volume method is used in fluid mechanics, the finite element method is predominant in solid state mechanics. At first glance, FVM and FEM are two highly specialized methods. However, both methods can solve problems of both solid mechanics and fluid mechanics well. Since experimental mechanics deals not only with solid state physics but also with fluid mechanics problems, we want to understand FVM in the sense of FEM in this work. In the long term, we want to use the variational calculus to unify many important numerical methods in engineering science into a common framework. In this way, we expect that experiences can be better exchanged between different engineering sciences and thus innovations in the field of experimental mechanics can be advanced. But in this work, we limit ourselves to the understanding of the FVM with the help of the variational calculus already known in FEM. We use a simple 1D Poisson equation to clarify the point. First, we briefly summarize the FVM and FEM. Then we will deal with the actual topic of this paper, as we establish the FEM and the FVM on a common basis by variation formulation. It is shown here that the FVM can be understood in terms of the finite element method with the so-called Galerkin-Petrov approach.
Simulation becomes more and more important in modern CT imaging. It is increasingly used to optimize techniques for complex applications, to support the preparation of written procedures, and for educational purposes. The radiographic simulator aRTist is a modelling tool which simulates X-ray imaging using a hybrid analytical and Monte Carlo method to efficiently model the radiation transport. In addition to the relevant physical effects such as absorption, scattering and fluorescence, simplified fast models are employed to describe the characteristics of the X-ray source and the detector. aRTist is well equipped to model realistic X-ray imaging setups due to the ability to load exported CAD object descriptions. A simple CT scan module is contained in aRTist which allows the simulation of standard (circular cone beam) scanning trajectories.
TomoSynth is a module for aRTist which allows to set up more complex scanning trajectories by attaching geometrical modification functions to the objects in the radiographic scene. In this way, advanced scanning modes can be realized, for instance helical CT as an overlay of a rotation and a linear motion, or laminography as a motion of the source point. In addition to deterministic motion, also random variations can be introduced. By combining random variations with deterministic motion, non-ideal (realistic) CT scan geometries can be simulated, e.g. focal spot drift and mechanical instability of the axis of rotation. The TomoSynth module conveniently allows to construct these scenarios in a graphical interface and provides a preview before starting the (potentially long running) batch job. Therefore, deviations from ideal CT scan trajectories can be easily adjusted which is a necessary step towards uncertainty determination from simulation.
Virtual CT with aRTist
(2023)
The software aRTist is a simulation tool for the generation of realistic radiographs of virtual radiographic superstructures.
With radiographic simulations, virtual component models can be scanned as in a computer tomograph.
Industrial X-ray computed tomography (CT) enables the non-destructive detection of internal and external surfaces as well as inhomogeneities of technical objects. Virtual CT offers new possibilities for the investigation of parameter influences of this complex testing and measuring technique. In addition to the option of switching physical effects on and off, scanning movements can also be tested before their technical realization.
The virtual CT generates projection images from different directions for the subsequent reconstruction of a volume model of the examined object. The reconstruction of the simulated scans is carried out with the algorithms and programs for real scans. Tomographic scans consist of a large number of projections, which practically cannot be generated individually by the user of a simulation. The software offers various options for the automated simulation of tomographic scans. These range from standard CT to scans on free trajectories or with individual projection matrices.