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Eingeladener Vortrag
- nein (52)
This talk highlights a proof-of-concept that demonstrates the ability to calculate high-resolution Fourier transforms. These can be combined with multi-scale modeling to simulate scattering over a wide range, from small-angle scattering to XRD and PDF.
The preprint documenting this is available on the ArXiv here:
https://doi.org/10.48550/arXiv.2303.13435
The Jupyter notebook, VASP calculation details and MOUSE measured scattering patterns are available from this Zenodo repository: https://dx.doi.org/10.5281/zenodo.7764045
We demonstrate a strategy for simulating wide-range X-ray scattering patterns, which spans the small- and wide scattering angles as well as the scattering angles typically used for Pair Distribution Function (PDF) analysis. Such simulated patterns can be used to test holistic analysis models, and, since the diffraction intensity is on the same scale as the scattering intensity, may offer a novel pathway for determining the degree of crystallinity.
The "Ultima Ratio" strategy is demonstrated on a 64-nm Metal Organic Framework (MOF) particle, calculated from Q < 0.01 1/nm up to Q < 150 1/nm, with a resolution of 0.16 Angstrom. The computations exploit a modified 3D Fast Fourier Transform (3D-FFT), whose modifications enable the transformations of matrices at least up to 8000^3 voxels in size. Multiple of these modified 3D-FFTs are combined to improve the low-Q behaviour. The resulting curve is compared to a wide-range scattering pattern measured on a polydisperse MOF powder. While computationally intensive, the approach is expected to be useful for simulating scattering from a wide range of realistic, complex structures, from (poly-)crystalline particles to hierarchical, multicomponent structures such as viruses and catalysts.
The new standard ISO 176362:2013 'NDT of welds: Radiographic testing - Part 2: X- and gamma ray techniques with digital detectors' describes a complex procedure for film replacement by phosphor imaging plates and digital detector arrays. RT modeling software should consider these detector types, X-ray film, and the standard requirements for image quality. Practitioners expect the same visibility of image quality indicators (IQI) in the simulated radiographs as in the experimental exposures. The proposed benchmark test is based on the comparison of experimental radiographs taken at BAM with modeled ones of participants. The experimental setup and the determination of the equivalent penetrameter sensitivity (EPS) as described in the procedure of ASTM E 746 are used for quantitative evaluation of the achievable contrast sensitivity for step hole IQIs as considered in Annex B of ISO 17636-2. System classification data for Computed Radiography (CR) and film systems will be provided by BAM according to ISO 116991 for selected film systems and according to ASTM E 2446 for selected CR systems. The classification of films and digital detectors is based on the measurement of the dose response function, the basic spatial resolution (SRb) of the image, and the measured image noise, which depends on the detector efficiency, the quantum statistics, and the detector fixed pattern noise.
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.
One essential step on the way towards accurate quantitative simulation of radiographic testing is an accurate description of the utilized energy spectrum of X-ray photons. For use in general purpose simulation tools, the spectra of X-ray tubes have to be described by a model covering at least the intended range of applications. This range includes transmission tubes as well as direct beam tubes with varying angles of incidence and emission, for a number of typical target materials. In radiographic testing acceleration voltages frequently reach up to 450 kV for direct beam targets and up to 225 kV for transmission targets, with even higher voltages available or being developed. Currently used models are unable to cover the whole range of configurations.
Here a model is presented that employs a unified approach for simulating the photon energy spectra for transmission and direct beam targets composed of arbi-trary 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.
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.
Additive manufacturing (AM) offers significantly greater freedom of design compared to conventional manufacturing processes since the final parts are built layer by layer. This enables metal AM, also known as metal 3D printing, to be utilized for improving efficiency and functionality, for the production of parts with very complex geometries, and rapid prototyping. However, despite many technological advancements made in recent years, several challenges hinder the mass adoption of metal AM. One of these challenges is mechanical anisotropy which describes the dependency of material properties on the material orientation. Therefore, in this work, stainless steel 316L parts produced by laser-based powder bed fusion are used to isolate and understand the root cause of anisotropy in AM parts. Furthermore, an efficient and accurate multiscale numerical framework is presented for predicting the deformation behavior of actual AM parts on the macroscale undergoing large plastic deformations. Finally, a novel constitutive model for the plastic spin is formulated to capture the influence of the microstructure evolution on the material behavior on the macroscale.
Simulations of cavitation processes on a grain boundary under creep conditions have been carried out, taking into account nucleation, growth, coalescence and sintering of multiple cavities. Cavity growth rates have been calculated through a resolution procedure based on the use of holomorphic complex functions. Three dimensionless parameters have been identified that are responsible for the cavitation development. Parameter studies have been carried out in order to characterise the mechanisms that are responsible for the cavitation development. These studies have been used to develop a physically motivated, simplified model in order to describe the cavitation development of the simulations in terms of global state variables. The simplified model is able to reproduce the cavitation development for all considered combinations of the dimensionless parameters and allows the description of the thickening behaviour of a cavitating grain boundary.
Das Ziel der vorliegenden Vorstudie ist es, die grundsätzlichen Anforderungen, Funktionen und Möglichkeiten vorhandener Software zur Simulation schweißbedingter Phänomene (Prozess-, Struktur- und Werkstoffsimulation) zu erarbeiten und gegenüberzustellen. Die notwendigen Eingabedaten, die vorausgesetzte Anwendererfahrung, sowie die Systemanforderungen und der Rechenzeitbedarf werden für sowohl kommerziell erhältliche als auch zur Zeit noch rein in der Forschung angewandte Programme berücksichtigt.
Nach Aufarbeitung des heutigen Kenntnisstandes der Schweißsimulation wird aktuell verfügbare Software diskutiert. Diese Programme lassen sich in Anlehnung an Radaj in drei Teilbereiche (Software für Struktursimulation, Prozesssimulation und Werkstoffsimulation) unterteilen. Schließlich wird auf notwendige Eingabedaten, hier vor Allem auf die Werkstoffkennwerte, eingegangen. Da die quantitative Aussagekraft der Simulationsergebnisse gewährleistet werden muss, ist eine umfassende Prüfung der Plausibilität und der Genauigkeit der experimentell bestimmten Werkstoffkennwerte notwendig.
Accessing radiation damage to biomolecules on the nanoscale by particle-scattering simulations
(2023)
Radiation damage to DNA plays a central role in radiation therapy to cure cancer. The physico-chemical and biological processes involved encompass huge time and spatial scales. To obtain a comprehensive understanding on the nano and the macro scale is a very challenging tasks for experimental techniques alone. Therefore particle-scattering simulations are often applied to complement measurements and aide their interpretation, to help in the planning of experiments, to predict their outcome and to test damage models. In the last years, powerful multipurpose particle-scattering framework based on the Monte-Carlo simulation (MCS) method, such as Geant4 and Geant4-DNA, were extended by user friendly interfaces such as TOPAS and TOPAS-nBio. This shifts their applicability from the realm of dedicated specialists to a broader range of scientists. In the present review we aim to give an overview over MCS based approaches to understand radiation interaction on a broad scale, ranging from cancerous tissue, cells and their organelles including the nucleus, mitochondria and membranes, over radiosensitizer such as metallic nanoparticles, and water with additional radical scavenger, down to isolated biomolecules in the form of DNA, RNA, proteins and DNA-protein complexes. Hereby the degradation of biomolecules by direct damage from inelastic scattering processes during the physical stage, and the indirect damage caused by radicals during the chemical stage as well as some parts of the early biological response is covered. Due to their high abundance the action of hydroxyl radicals (•OH) and secondary low energy electrons (LEE) as well as prehydrated electrons are covered in additional detail. Applications in the prediction of DNA damage, DNA repair processes, cell survival and apoptosis, influence of radiosensitizer on the dose distribution within cells and their organelles, the study of linear energy transfer (LET), the relative biological effectiveness (RBE), ion beam cancer therapy, microbeam radiation therapy (MRT), the FLASH effect, and the radiation induced bystander effect are reviewed.
This paper deals with life prediction by observation and simulation of short fatigue cracks in cyclically loaded smooth and notched specimens made of 0.15 wt-% carbon steel SAE1017. The measured crack behaviour was simulated in a microstructural environment. Reference tests under constant amplitude loading allowed to determine model parameters and hence a reasonable life prediction by simulation resulted even for service loading. Short crack behaviour was a measurable property for damage also to compare smooth and notched specimens.
For decades, the low-strain impact integrity testing using a hammer blow is well established as a method of quality assurance for various pile types. However, this method has its limitations. Our research and development focuses on improving the excitation signal using a shaker system in contrast to the standard hammer method. Another approach is to increase the amount of sensors used during testing. The purpose is to identify the direction of wave propagation which gives advantages under difficult conditions, such as piles below structures.
Pile integrity testing (PIT) using a shaker system was performed on two 11 m long piles of 90 cm in diameter. While one pile was intact, the other one showed a flaw at approx. 3.5 m below pile top, which was confirmed by standard PIT in 2012. A logarithmic sweep between 500 Hz and 1 KHz of 0.1 s was used as the input signal, being vertically injected into the pile. Prior to that, simulations on similar pile geometries showed that the depth of the pile toe as well as flaws within the pile can be extracted by applying regularized deconvolution. The result is the impulse response in the time domain.
The application of deconvolution on the measured signals shows that it is possible to identify the pile length but it is more difficult to clearly extract the flaw’s position in the pile. Additional digital signal processing techniques and the improvement of the regularized deconvolution method as well as the experimental setup need to be investigated.
Another way to improve the PIT method is to use a multichannel sensor arrangement. By arranging several accelerometers vertically along the accessible part of the pile shaft, it is possible to distinguish between downward and upward traveling waves. Furthermore, it is possible to estimate the unknown wave speed, which gives the possibility of more accurate pile length calculations. The method was evaluated successfully during a measurement campaign of a slab foundation with subjacent piles. In 20 of 28 cases the pile length could be detected accurately.
Non-destructive testing of rail tracks is carried out by using rail inspection cars equipped with ultrasonic and eddy current measurement. The evaluation of test data is mainly done manually, supported by a software tool which pre-selects relevant indications shown to the evaluators. The resulting indications have to be checked on-site using hand-held testing equipment. Maintenance interventions are then derived on the basis of these on-site findings.
Overall aim of the AIFRI (Artificial Intelligence For Rail Inspection) project - funded by the German Federal Ministry of Digital and Transport (BMDV) as part of the mFUND programme under funding code 19FS2014 – is to increase the degree of automation of the inspection process from the evaluation of the data to the planning of maintenance interventions. The accuracy of defect detection shall be increased by applying AI methods in order to enable an automated classification of detected indications into risk classes. For this purpose, data from both eddy current inspections and ultrasonic inspections will be used in combination.
Within the framework of this data-driven project, relevant defect patterns and artefacts present in the rail are analysed and implemented into a configurable digital twin. With the help of this digital twin virtual defects can be generated and used to train AI algorithms for detection and classification. With the help of reliability assessment trained AI algorithms will be evaluated with regard to the resulting quality in defect detection and characterisation.
A particular aspect of the development of AI methods is the data fusion of different NDT data sources: Thereby, synergies are used that arise from linking eddy current and ultrasonic inspection data in a combined model.
In the course of the project a demonstrator consisting of the developed IT-tool and an asset management system will be implemented and tested in the field using real-world data.
In diesem Vortrag werden die aktuellen Techniken für die angewandte mechanisierte Schienenprüfung dargestellt und Perspektiven für die Zukunft der handgeführten und fahrzeuggeführten Prüftechnik aufgezeigt. Insbesondere wird hier die bildhafte Darstellung, der zusätzliche Nutzen von Arraysensoren sowie die Möglichkeiten der Simulation von Schienenfehlern vorgestellt.
The cause and type of solid particle erosion varies across different industries and locations in plants, for instance the particles could be volcanic ash in aero-engines, fly ash in boilers, exfoliated scale in steam turbines or mineral matter in oil excavation. In all cases the durability of materials can be improved through better surface engineering and coatings, but the development of these is restricted also due to lack of generic models. In this respect, the simulation of a single impact with finite element methods using 100.000 knots would take about 15 minutes. In order to simulate an entire particle erosion experiment, up to one billion of such impacts would have to be considered. In order to simulate an entire particle erosion experiment, the current work presents an alternative approach capable of calculating about half a billion impacts on a substrate in less than six hours on a standard PC. The predictions of the simulation will be compared to a steel sample at 600°C eroded by aluminum oxide particles with a velocity around 210 m/s.
The cause and type of solid particle erosion varies across different industries and locations in plants, for instance the particles could be volcanic ash in aero-engines, fly ash in boilers, exfoliated scale in steam turbines or mineral matter in oil excavation. In all cases the durability of materials can be improved through better surface engineering and coatings, but the development of these is restricted also due to lack of generic models. In this respect, the simulation of a single impact with finite element methods using 100.000 knots would take about 15 minutes. In order to simulate an entire particle erosion experiment, up to one billion of such impacts would have to be considered. In order to simulate an entire particle erosion experiment, the current work presents an alternative approach capable of calculating about half a billion impacts on a substrate in less than six hours on a standard PC. The predictions of the simulation will be compared to a steel sample at 600°C eroded by aluminum oxide particles with a velocity around 210 m/s.
Wear mechanisms, as adhesion, abrasion, fatigue and tribochemical wear, are complex in their physical and chemical nature. A theoretical description and prediction of wear are in most cases still far from reality. It is, therefore, important to use test rigs before a practical application of a given material combination under tribological loading.
On the other hand, model equations can be helpful for wear description, if a single wear mechanism is dominant.
Under oscillating and continuous sliding contact conditions, equations for wear calculation are presented to describe running-in and stationary wear behaviour of metals and ceramics. By using shear energy density, real area of contact, flash temperature, activation energy and numerical simulations with the method of movable cellular automata (MCA), wear data were calculated and compared to experimental laboratory results.
Industrial radiography or Radiographic Testing (RT) is a method of non-destructive testing where many types of manufactured components can be examined to verify the internal structure and integrity of the specimen. The computer program aRTist can generate synthetic radiographs from a virtual RT test set-up. In the field of industrial radiology simulation is used, e.g. to optimize techniques for complex applications, to support the preparation of written procedures, and for education purposes.
The simulator aRTist combines analytical and Monte Carlo methods to efficiently model the radiation transport. The program comes with a graphical user interface written in Tcl/Tk. In combination of Tcl/Tk and the 3D capabilities of the visualization toolkit (VTK) a practical and convenient simulator has been realized. This will be illustrated by discussing application scenarios of classical radiography, X-ray computer tomography, and X-ray backscatter imaging. Additionally, some insight to the software implementation of the simulator will be given.
The interest in using computer simulations of dimensional x-ray computed tomography (dXCT) for various metrological purposes—such as measurement planning, performance prediction, performance optimisation and, finally, measurement uncertainty estimation—is increasing along with the ever-growing demand for more reliable measurements with dXCT. However, before a piece of simulation software can be used for tasks related to coordinate metrology, it has to be ensured that it is able to simulate physical laws, characteristic effects and basic CT system functionalities correctly and with sufficient accuracy. In short, the software must be qualified for dimensional metrology tasks. As one part of such a qualification process, a method is presented here for determining conformity intervals of 2D tests (projection-based tests) based on 3D tests (testing based on dimensional evaluations in a reconstructed volume) for the assessment of dXCT simulation software. The method consists of varying relevant parameter values in order to verify their influence on 3D measurement results. The results of the 3D tests with varied parameter values are then transferred to the quantities tested in the 2D tests and used as the basis for determining conformity intervals. Two approaches are applied for determining whether or not a variation of a parameter value is significant: (a) statistical and (b) heuristic. Two examples are presented, each based on simulated images, which show the application of the two different approaches for determining conformity intervals for the results of the 2D tests.
Im Rahmen des Forschungsprojekts "Artificial Intelligence for Rail Inspection" (AIFRI) wird ein KI-Algorithmus entwickelt, um die Fehlererkennung bei der Auswertung von Schienenprüfungen zu verbessern. Der Prozess der mechanisierten Schienenprüfung wird analysiert und die Schienenfehler sowie Artefakte werden in einem digitalen Zwilling abgebildet, um in einem weiteren Schritt die automatische Fehlererkennung und Klassifizierung mit KI-Algorithmen trainieren zu können. Zu diesem Zweck werden Ultraschalldatensätze auf der Grundlage der Regelwerke und Informationen aus der Instandhaltung mit einer Simulationssoftware erstellt, die Anzeigen der verschiedenen Schienenschädigungen und Artefakte enthalten.
Die Schienenfehler werden bei der Auswertung in Fehlerklassen eingeordnet, für das KI-Training priorisiert und auf Basis der von der DB Netz AG ausgewählten Informationen untersucht. Hierfür werden die Schienenfehler nach den für das KI-Training relevanten Merkmalen zerlegt und die Konfiguration der Parameter der Simulation entsprechend abgestimmt.
Für die Grundstruktur des Datensatzes wird ein Schienenmodell mit einer Länge von einem Meter für die Simulation eingesetzt, auf dessen Basis alle bei der Schienenprüfung zu verwendenden Prüfköpfe für den jeweiligen Reflektortyp betrachtet werden. Die simulierten Daten werden auf einer Testschiene im Labormaßstab validiert. Mögliche Einflussparameter wie z. B. der Signal-Rausch-Abstand sowie die Fahrgeschwindigkeit werden in den Datensätzen herangezogen. Die Zusammenstellung eines Testdatensatzes mit lokal veränderlichen Einflussgrößen erfolgt aus den simulierten Daten unter Verwendung der skriptbasierten Programmierumgebung Python und Matlab.
Das Projekt AIFRI wird im Rahmen der Innovationsinitiative mFUND unter dem Förderkennzeichen 19FS2014 durch das Bundesministerium für Digitales und Verkehr gefördert.
3D concrete printing is an innovative new construction technology offering the potential to enable an efficient production of individual structures with less consumption of resources. The technology will mainly shape the future construction philosophy, automate the build process and help reaching the climate goals in civil engineering. From the design of a structure to the printed component, many individual steps based on different software are required which must be repeated for each new or changed structure. First, the geometry of the structure is created in a CAD program. Second, the print path is defined in a slicer software creating the machine code for the printer (G-Code). Finally, the structure can be printed. Furthermore, a numerical model of the printed structure is necessary for process optimization and control. In that way the number of test prints can be reduced, costs can be saved, and the component behavior can be predicted. For those purposes, an automated workflow allowing to run all steps or individual steps without interacting with each individual software program is required. Furthermore, changes in parameters or the exchange of parts (using a different design or different printer) must be possible in a simple manner. In the presented work, such an automated workflow based on the example of a parametrized wall element for extrusion-based concrete printing is developed. The investigated wall structure is parametrized using the global geometry parameters: height, width, thickness, radius, kind of infill structure (honey-comb, zig-zag) and number of repeated infills. All above mentioned steps are implemented via python interfaces using pydoit as workflow tool. General interfaces with prescribed input and output files are defined allowing adaptations for different software and tools. The described workflow is tested by performing a test series investigating the influence of the in-fill structure on the mechanical properties of the test walls.
Liquid metal embrittlement (LME) cracking can occur during resistance spot welding (RSW) in zinc-coated advanced high-strength steels (AHSS) for automotive production. In this study, a methodological variation of hold time is performed to investigate the process-related crack influence factors. A combination of numerical and experimental investigations confirms, that the extent of heat dissipation and re-heating of the sheet surface can be influenced and thus the degree of crack formation can be controlled in a targeted manner by the parameterisation of the hold time. The temperature and stress history of crack-free and crack-afflicted spot welds are analysed and a conclusion on the borders defining the LME active region is derived.
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.
Ein neuartiger Modellierungsansatz für die Berechnung des transienten Temperaturfeldes beim Laserstrahlschweißen mit einer äquivalenten Wärmequelle wurde vorgestellt. Das numerische Modell wurde in zwei Studien unterteilt. Im ersten Teil wurde der Laserstrahlschweißprozess in einer stationären Schmelzbadsimulation untersucht. Die lokale Schmelzbadgeometrie und das Temperaturfeld wurden unter Berücksichtigung der Effekte der thermokapillaren und freien Konvektion, der latenten Wärme und der temperaturabhängigen Materialeigenschaften bis hin zur Verdampfungstemperatur ermittelt. Die Ergebnisse wurden benutzt, um eine äquivalente volumetrische Wärmequelle zu definieren. In der folgenden Studie wurde damit das transiente Temperaturfeld im geschweißten Bauteil berechnet. Die numerischen Ergebnisse wurden durch parallel laufende Experimente validiert.
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.
The aim of this research is to characterize a surface that has experienced low wear on asperities. The procedure used is similar to an Abbott-Firestone approach and based on functional bearing of projected area, surface area and material volume. Surface features extracted from surface height maps provide more comprehensive information about topography changes due to wear. Thus, they were used to detect low wear volumes on the top of asperities.
The aim of this research is to characterize a surface that has experienced low wear on asperities. The procedure used is similar to an Abbott-Firestone approach and based on functional bearing of projected area, surface area and material volume. Surface features extracted from surface height maps provide more comprehensive information about topography changes due to wear. Thus, they were used to detect low wear volumes on the top of asperities.
Implementation of soilcrete columns via jet grouting or deep soil mixing to stabilize problematic subsurface soils is common in underground construction. However, industry is faced with limited options to characterize column geometry and quality of the resulting soilcrete without excavation or destructive testing. Laboratory-scale experiments were conducted on simulated soilcrete columns using crosshole ultrasonic testing to evaluate the feasibility of acoustic tomography to characterize soilcrete geometry and quality. Data were acquired on multiple columns immediately after placement up to a curing time of 120 hours. Jet grout compressional wave velocity (VP) was estimated using a first arrival time approach and inverted to construct acoustic tomograms. Acoustic tomograms indicate that crosshole ultrasonic testing is able to characterize the changes in acoustic properties that result from jet-grout curing, locate contrasts between weaker/stronger regions in the jet grout, and estimate geometry of the column.
Structural Health Monitoring (SHM) mittels geführter Ultraschallwellen ermöglicht eine kontinuierliche Überwachung komplexer Bauteile und liefert umfangreiche Informationen über deren strukturelle Integrität. Die aufgezeichneten Signale sind jedoch komplex und werden daher zunehmend mittels KI verarbeitet, um Anomalien in der Systemintegrität automatisch zu erkennen. Eine Herausforderung dabei ist jedoch das Trainieren solcher KI-Modelle, da dafür große Mengen an Trainingsdaten inklusive diverser Schadensfälle benötigt werden, um eine hohe Genauigkeit und Zuverlässigkeit zu gewährleisten. Experimentelle Generierung dieser Daten ist wegen des enormen Zeit- und Kostenaufwands nicht möglich.
Eine Alternative hierfür bieten die numerischen Simulationen, da dadurch Trainingsdaten für beliebige Anzahl an Schadenskonfigurationen erzeugt werden können. Das Hauptproblem dabei ist jedoch die Abweichung zwischen den experimentellen und simulierten Daten (durch z.B. Abweichungen bei der Geometrie, Randbedingungen oder Materialparameter). Um diese Abweichungen zu reduzieren bzw. zu eliminieren, wird ein KI-Modell mit einer Autoencoder-Decoder Architektur vorgestellt, die mittels eines Experiments kalibriert werden kann und anschließend in der Lage ist, die Genauigkeit der Simulationsergebnisse nachträglich zu erhöhen.
Combination of model reduction and adaptive subset simulation for structural reliability problems
(2019)
A safe and robust design is a key criterion when building a structure or a component. Ensuring this criterion can either be performed by fullfilling prescribed safety margins, or by using a full probabilistic approach with a computation of the failure probability. The latter approach is particularly well suited for complex Problems with an interaction of different physical penomena that can be described in a numerical model. The bottleneck in this approach is the computational effort. Sampling methods such as Markov chain Monte Carlo methods are often used to evaluate the system reliability. Due to small failure probabilities (e.g. 10^6) and complex physical models with already and extensive computational effort for a single set of parameters, these methods a prohibitively expensive. The focus of this contribution is to demonstrate the advantages of combining model reduction techniques within the concept a variance reducing adaptive sampling procedures. In the developed method, a modification of the adaptive subset simulation based on Papaioannou et al. 2015 is used and coupled with a limit state function based on Proper Generalized Decomposition (PGD) (Chinesta et al. 2011). In the subset simulation the failure probability is expressed as a product of larger conditional failure probabilities. The intermediate failure events are chosen as a decreasing sequence. Instead of solving each conditional probability with a Markov chain approach, an importance sampling approach is used. It is be shown that the accuracy of the estimation depends mainly on the number of samples in the last sub-problem. For model reduction, the PGD approach is used to solve the structural problem a priori for a given Parameter space (physical space plus all random parameters). The PGD approach results in an approximation of the problem output within a prescribed range of all input Parameters (load factor, material properties, ..). The approximation of the solution by a separated form allows an evaluation of the limit state function within the sampling algorithm with almost no cost. This coupled PGD – adaptive subset Simulation approach is used to estimate the failure probability of examples with different complexity. The convergence, the error propagation as well as the reduction in computational time is discussed.
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.
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. 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.
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 future experimental work which aims to obtain a mechanistic understanding of cell death induced by radioactive 198Au.
Modelling becomes more and more important in modern NDE. It is increasingly used to optimize techniques for complex applications, to support the preparation of written procedures, and for education purposes. To describe the complete chain of RT, the model includes simulating all necessary properties of X- or Gamma-ray sources, the interaction of photons with material with special attention to scattered radiation, the detection process, and the complete geometrical RT setup handling arbitrary parts or constructions. Depending on the given inspection problem and the influencing factors that should be addressed by the simulation, an appropriate physical model has to be chosen to describe the underlying interaction mechanisms. The simulator aRTist combines analytical and Monte Carlo methods to efficiently model the radiation transport such that transmission as well as scatter techniques can be modelled. In this contribution we Focus on Monte Carlo Simulation of scatter contribution within aRTist. Examples for RT/tomographic applications and back-scatter techniques are presented to demonstrate the usability of the presented simulation tool for a broad range of radiological applications.
Modelling becomes more and more important in modern NDE. It is increasingly used to optimize techniques for complex applications, to support the preparation of written procedures, and for education purposes. To describe the complete chain of RT, the model includes simulating all necessary properties of X- or Gamma-ray sources, the interaction of photons with material with special attention to scattered radiation, the detection process, and the complete geometrical RT setup handling arbitrary parts or constructions. Depending on the given inspection problem and the influencing factors that should be addressed by the simulation, an appropriate physical model has to be chosen to describe the underlying interaction mechanisms. The simulator aRTist combines analytical and Monte Carlo methods to efficiently model the radiation transport such that transmission as well as scatter techniques can be modelled. In this contribution we focus on Monte Carlo simulation of scatter contribution within aRTist. Examples for RT/tomographic applications and back-scatter techniques are presented to demonstrate the usability of the presented simulation tool for a broad range of radiological applications.
Computer simulation tools were used to evaluate pedestrian movement. This study compares the reliability of three simulation tools and the calculation method by Predtetschenski und Milinski with a controlled evacuation exercise of a lecturer room. The comparison shows that each simulation tool used underestimate the total evacuation time and that an indicator for a low level of fitness does not necessarily lead to a long evacuation time. Results revealed that calibration of simulation tools is required to model heterogeneous population properly. Therefore, further experiments with a realistic, heterogeneous composition of participants have to be made.