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- 1 Analytische Chemie; Referenzmaterialien (85)
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- 3 Gefahrgutumschließungen; Energiespeicher (62)
- 2 Prozess- und Anlagensicherheit (53)
A technical-safety evaluation of the detonation effects of pyrotechnic compositions can be performed on the basis of TNT/PETN equivalence. The equivalence determination can be carried out by characterization of the blast wave generated because of detonation in free field tests, which however can be highly resource intensive and prone to uncertainties. Here, we present underwater ‘small-scale’ experiments for the determination of such equivalents.
Underwater experiments, as described in the European standard EN 13763-15:2004, are performed to test the capability of detonators to initiate secondary explosives by determining the released energy. At BAM this test was modified to compare the energy output of the pyrotechnic mixtures (those used in air bag gas generators and firework flash compositions) and thus to determine their equivalents of high explosives like TNT or PETN. In the modified tests, small cylindrical copper containers were filled with pyrotechnic substances, which were then attached to standard detonators. This explosive charge assembly was then lowered into a water tank of about 1000 l capacity. At the same depth as the charge assembly, a piezoelectric pressure sensor was immersed in the water at a horizontal distance of about 400 mm from the charge. By recording the time-dependent pressure during the test, the shock energy as well as the energy associated with the expanding gas bubble were determined.
A safety or security related assessment of explosions, accidental and intentional scenarios alike, often necessitate performance of replication-tests. Such test results are necessary to clarify the causes within the scope of forensic investigations. To gain important insights into the behavior of structures and materials under such loading, field tests may also be performed in accordance with different test standards. To determine the resistance of building-structures after explosions, estimation of the residual load-bearing capacity in addition to the assessment of dynamic structural response and damage to the building components is important. In most cases an evaluation of structural integrity is based only on the visual damage, resulting in an overestimation of the residual capacity.
The Bundesanstalt für Materialforschung und -prüfung (BAM) operates the Test site for Technical Safety (TTS) on an area measuring about 12 km2 in the Federal State of Brandenburg for execution of true-to-scale explosion tests. At the TTS, building component testing was performed to assess the suitability of different non-destructive testing methods to characterize the dynamic structural response and damage resulting from the detonation of high explosives.
Different blast-loading scenarios were realized by varying the net explosive mass and the standoff distance with all scenarios representing a near-field detonation. The test object was a reinforced concrete wall 2 m high, 2.5 m wide and 20 cm thick, fixed at both vertical edges. The dynamic loading of the wall was characterized with 8 piezoelectric pressure sensors flush-mounted on the front surface, thus measuring the reflected pressures from the shock wave. The tests were conducted with the aim of characterizing the global behavior of the wall under dynamic shock loading and the resulting local damage pattern, respectively. High speed digital image correlation was implemented in combination with multiple acceleration sensors to observe the rear surface of the wall to chart the dynamic deflection during the loading and to determine the residual deformation after the loading had ceased. In addition, one test specimen was instrumented with fiber optic sensor cables, both fixed to the rebars and embedded in the concrete-matrix, respectively. Firstly, these sensors were interrogated during the blast test by a distributed acoustic sensing (DAS) device using a particularly high sampling rate to measure the shock-induced vibrations in the structure with high temporal resolution. This delivers information on dynamics of compression and tension cycles from within the structure. Secondly, the local damage-pattern emerging during the series of blasts was determined via distributed fiber optic strain sensing (DSS) by interrogating the embedded fiber optic sensors with a high spatial resolution DSS device after each blast. This enabled the characterization of non-visual damage to the structure, in particular with regard to the formation of localized cracks in the concrete matrix. The DSS was further complimented by a structure-scanner based on ultrasonic measurements.
Our contribution describes this new test approach in detail. Results of the three datasets, namely dynamic shock loading, global behavior of the test object and the local damage pattern will be presented. The suitability of the implemented measurement methods will be discussed in combination with the challenges in their application for technical safety evaluation of building components under explosive loading.
An introductory lecture on the Dark Side of Science; what it is, why it exists, and what can be done to fight it. This lecture illuminates the increasing prevalence of fraudulent scientific work (e.g. faked data, manipulated images, paper mills) with plenty of examples and sources. The second section expands on the driving forces that caused this phenomenon to emerge, largely driven by pressures from management, peers and the researcher themselves. The third section expands on methods and tools that can be used to educate and arm oneself against this phenomenon. The 2023 edition includes new examples of larger fraudulent bodies of work emerging, and the problems posed by the arrival of LLMs.
The project series CTSimU was initiated with the goal to develop a set of procedures to enable the determination of the task-specific measurement uncertainty of a CT system numerically by radiographic simulation. The first project (2019-2022) “Radiographic Computed Tomography Simulation for Measurement Uncertainty Evaluation - CTSimU” was focused on the sufficient physical correctness of the radiographic simulation and created as a result a test framework for simulation softwares and a draft of a VDI standard in the series VDI/VDE 2630 for this application. However, for the realistic simulation of a CT system in a simulation software (i.e. a digital twin), not only the correctness of the simulation software itself is crucial, but also the quality of the parameterization of the CT system in the simulation software - this represents the starting point of the 2nd project “Realistic Simulation of real CT systems with a basic-qualified Simulation Software - CTSimU2” (2022-2024).
The parameterization of a CT system in a simulation software can be divided into four steps: after the data acquisition at the real CT system (step 1) follows the evaluation of the acquired data for the generation of general parameter specifications (step 2). It follows the transfer of the parameters into the specific simulation software (step 3) and the validation of the resulting simulation parameters by a suitable test (step 4). The intended result of the project CTSimU2 is a draft VDI standard (for VDI/VDE 2630) for this test, which contains an informative annex on the state of the art regarding the possibilities for parameter determination.
Die Entwicklung von Werkzeugen zur realitätsnahen Nachbildung eines industriellen CT-Systems in einer Simulationssoftware ist derzeit Hauptaufgabe des WIPANO Forschungsprojektes CTSimU2 Realistische Simulation realer Röntgencomputertomografie - Systeme mit basisqualifizierter Simulationssoftware. Als Voraussetzung dienen dabei Simulationssoftwares, die durch das Testframework aus dem Vorprojekt CTSimU1 basisqualifiziert wurden. Das Testframework testet die hinreichende physikalische Korrektheit und Funktionalität einer Simulationssoftware (Basisqualifizierung der Software). Für eine realitätsnahe Nachbildung ist nicht nur die Güte der Simulationssoftware, sondern insbesondere die Güte der Parametrisierung des realen CT-Systems in der Simulationssoftware ausschlaggebend. Dabei kann das Vorgehen der Parametrisierung in vier Schritte unterteilt werden: die Datenaufnahme am realen CT-System (Schritt 1), die Auswertung der aufgenommenen Daten für die Generierung allgemeiner Parameterangaben (Schritt 2), die Übertragung der Parameter in die spezifischen Simulationssoftwares (Schritt 3) und die Validierung der resultierenden Simulationsparameter durch einen geeigneten Test (Schritt 4). Ziel des Projektes ist es daher neben der Erarbeitung eines Werkzeugkastens mit allgemeinen Methoden zur Datenaufnahme und Auswertung der Daten, die Entwicklung eines Tests, auf dessen Basis die ausreichend korrekte Simulation einer realen Anlage beurteilt werden kann. Die erarbeiteten Ergebnisse sollen wie bereits im Vorprojekt CTSimU1 in einen Richtlinienentwurf für die Richtlinienreihe VDI/VDE 2630 übertragen werden. Dieser Beitrag soll einen Überblick über das Projekt und die ersten Ergebnisse geben.
Porous carbons with tuneable functionalities and morphologies have extensively been employed as electrode materials in a variety of electrochemical energy conversion and storage systems for instance in fuel cells and electrolysers as active catalysts and catalyst supports, and in secondary batteries as anode materials. Amorphous carbons with well-developed pore structures are of particular interest due to their superior mass-transport characteristics and remarkable charge storage capacities.
Offshore-Windenergieanlagen erfordern Gründungskonzepte aus unterpulver-(UP-)geschweißten Dickblechen (bspw. der Güte S420ML). Während der Schweißfertigung kann eine zeitverzögerte wasserstoffunterstützte Kaltrissbildung auftreten, deren Bewertung aufgrund der Bauteilgröße von Offshore-Strukturen sehr komplex ist. Deswegen wurde eine bauteilähnliche Geometrie (Mock-Up) entwickelt, um reale Steifigkeitsverhältnisse auf den Labormaßstab zu übertragen. Zusätzliche Versteifungen simulieren die Wirkung einer Einspannung bzw. Schrumpfbehinderung der Schweißnaht. Über die Verwendung von Schweißpulvern mit definierter Feuchte wurden zudem ein Extremszenario der Wasserstoffaufnahme simuliert. Entsprechend der vorgegebenen Mindestwartezeit für die ZfP von bis zu 48 h wurde die Schweißnaht zerstörungsfrei mit Phased-Array-Ultraschall-Prüfung (PAUT) geprüft und die Eigenspannungen über Röntgendiffraktometrie (XRD) bestimmt. Zusätzlich wurde die Wasserstoffverteilung in der Schweißverbindung numerisch simuliert. Außer zulässigen Defekten (wie Poren), wurde keine verzögerte Kaltrissbildung in den Mock-Ups festgestellt, was auf hohe Rissbeständigkeit hindeutet.
Short overview is given of BAM's research within the topic "Flame Retardancy of Polymeric Materials". Fire science is identified as a crucial compentenc of BAM following our mission "Safety in Technology and Chemistry". In the area of polymers we work interdisciplinary, in the dimensions from nm to 2m, and we love to combine experiment and simulation. Multimethodical examples are given to describe the burning phenomena and flame-retardant modes of action. Further some examples are presented for tailored bench-scale fire testing and assessing concepts. Our goal is to provide the fundaments for a evidenced-based development of future materials.
Im Vortrag wird der Stand der Weiterentwicklung der ISO 16103 dargestellt, in der Regelungen zur Qualitätssicherung bei der Herstellung von Recycling-Kunststoffen und daraus hergestellter Gefahrgutverpackungen enthalten sind. Darüber hinaus wird auf die Verbindungen zu den UN Model Regulations und zum ADR eingegangen und welche Konsequenzen sich daraus für die Zulassung und die Anerkennung des Qualitätssicherungsprogramms ergeben.
Measurements are an important fundament of natural science in general and of chemical analysis in particular. Metrology is the science (and art) of performing measurements. The basic concepts and terms of metrology and their practical implementation are introduced. The very special peculiarities of chemical measurements that are absent in physical measurements are discussed.
The safe storage of radioactive material in nuclear waste repositories is a major task of our societies. The sealing function of such repositories is depending on the ability of the applied construction materials to form and maintain a geotechnical barrier with the surrounding rock. Corrosion of the construction material can lead to leakage of radioactive compounds and must therefore be avoided or minimized. Since concretes based on conventional Portland cement have not been found suitable in this context, alternative binders must be evaluated.
One such class of binders are hybrid cements, which are blends of low fractions of Portland cement or Portland clinker and high fractions of supplementary cementitious materials, such as blast furnace slag and fly ash, activated by an alkali salt. Besides a low heat of hydration and a sufficient early compressive strength [1], chemical similarities with ancient Roman concrete suggest an excellent durability in saline environments [2], which makes these cements potentially suitable for applications in nuclear waste repositories in evaporite rock, such as the Morsleben repository in Germany.
In the present study, two previously designed and characterized [3] hybrid cements, an alkali-activated slag/fly ash blend, and an OPC paste were studied regarding their resistance against corrosion in an aggressive saline solution. The saline solution was designed by the Gesellschaft für Anlagen- und Reaktorsicherheit (GRS) [Association for Facility and Reactor Safety] as a reference representing a solution forming as the result of contact of surface water with evaporite rock. The cement pastes were exposed to the saline solution up to 70 days and characterized by X-ray diffraction, thermogravimetric analysis and spatially resolved X-ray fluorescence spectroscopy. In addition, thermodynamic modelling was performed to simulate the alterations of the phase assemblage with increasing exposure to the saline solution and, thus, provide indications on the long-term durability of the cement pastes.
The experimental results revealed a correlation between the Portland clinker content of the cements and the resistance of the cement pastes against attack by the saline solution. This outcome was related to the formation of portlandite when sufficient clinker was available, which maintained the pore solution pH at ~12.5, and thus prevented the dissolution of cementitious phases. Once portlandite was consumed, C-N-A-S-H and ettringite dissolved and released calcium, aluminium, and hydroxide ions in the solution, maintaining the pH at ~10. In this pH range, the formation Cl-AFm phases was observed. At lower pH values, i.e., extended exposure durations, gypsum was the major corrosion product. The pH-dependent dissolution and formation of phases lead to pronounced zonation in the exposed cement pastes. Thermodynamic modelling indicated that the dissolved silicon from C-N-A-S-H reacts with magnesium ions in the saline solution to form M-S-H, and that long-term exposure eventually leads to a material rich in amorphous silica and brucite.
The ink analysis protocol developed through cooperation between the Bundesanstalt für Materialforschung und -prüfung in Berlin and the Centre for the Study of Manuscript Cultures at the University of Hamburg involves the use of imaging techniques for ink screening, followed by spectroscopic analysis. In our presentation, we will begin by briefly reviewing the history of writing inks and discussing the three main categories: carbon-based inks, plant, and iron-gall inks. We will address their chronology, precursors, and mixed forms, as well as the features that allow for their identification. Then, we will present the techniques we use in ink analysis, whereby we would like to highlight the limitations, advantages, and disadvantages of each approach. Finally, we will discuss the new mass-spectrometric method based on micro-sampling and using atmospheric solid analysis probe (ASAP).
Inspired by the chemistry of mussel adhesive proteins, polydopamine (PDA has been shown as one of the most versatile platforms for altering the properties and incorporating new functionalities to nearby any material surface despite its nature. Rich chemistry of PDA enables broad variety of surface modification and diverse secondary reactions that makes it extremely interesting for a wide range of application including biomedical field, e.g., drug delivery, adhesives, cell adhesion, biosensing. Despite high potential of polydopamine, the lack of deposition control and precision in existed methods limits their applications in microdevices and miniaturized functional systems like, for example, MEMS, microfluidic and sensorics.
Herein, we demonstrate a novel maskless approach for surface micropatterning with polydopamine based on Multiphoton Lithography that overcomes present limitations. Neither strong oxidants, metal ions nor adjustment of pH to alkaline is required by this technique. The spatial resolution down to 0.8 µm has been achieved which is at least an order of magnitude smaller than shown by other existed methods. We are able to control the morphology and thickness of the micropattern by altering fabrication parameters allowing structure gradient.
Apart from the glass substrate, we achieved PDA patterning at surfaces of different nature such as polychlorotrifluoroethylene, polydimethylsiloxane, polyethylene terephthalate, silicon wafers, and fluorinated glass coverslips. Post-modification of polydopamine micropatterns with protein enzyme like trypsin is demonstrated to highlight its sensing potential.
Presented in this work microfabrication technique empowers advanced applications of mussel-inspired materials in single-molecule bioassays, sensors and other complex microdevices.
In recent years the BAM has been focusing on the characterization of the writing materials of the medieval Torah scrolls. The challenge imposed by the study of this specific type of manuscript led to designing and building dedicated stages to ensure the safety of the scrolls during the analysis. Furthermore, the identification of multiple corrections executed in apparently identical inks required broadening the standard two-step protocol of near infrared reflectography and X-ray fluorescence to include multispectral imaging. This work has prepared the division to participate in the large collaborative project “To roll: Materialisierte Heiligkeit (Materialised Holiness)” based at the Free University, Berlin.
The presentation will demonstrate the aims of the studies, preliminary results and the strategies adopted by the division 4.5 of the BAM.
Conclusion et piste:
Il semblerait qu’il n’existe pas de corrélation entre le type d’encre utilisés et d’autres critères recherchés à part une marque de préférence personnelle, sauf en ce qui concerne des documents religieux, auquel cas une différence se fait en function de la communauté.
Les résultats réunis dans cette étude semble indiquer que les scribes achètent leur propre encre.
L’analyse des encres peut nous aider à retracer une chronologie de l’écriture et signature de certains documents juridiques.
Élargissement du corpus:
- Comparaison avec des documents écrits par la cour du Qadi
- Documents d’autres collections
- Avec d’autres documents contemporains (Génizah Afghane)
The application of composite overwrapped pressure vessels (COPV) to store hydrogen and other compressed gases, especially when operating at high pressures, imposed the need for an innovative and reliable approach to ensure the safe operation of the system. Continuous structural health monitoring (SHM) based on ultrasonic guided waves (GWs) is a promising approach due to the ability of the wave to propagate for long distances and go around complex structures, moreover the high sensitivity to various failure modes such as delamination, matrix cracking and debonding. In this study, we scrutinize the behavior of (GWs) within the COPV using a network of PZT elements that are used for excitation and sensing. A laser doppler vibrometer (LDV) was also used to scan the surface of the vessel in various directions. L(0,1) and L(0,2) were observed in the captured signal. The L(0,2) appeared to be a dominant mode in the COPV and was capable of propagating along the entire length and maintaining a good signal-to-noise ratio. The L(0,2) mode maintained the same phase velocity when it is captured at various excitation angles (0, 45, and 90 degrees). The reduced effect of the orthotropy of the materials on the propagating waves is an important result as it will reduce the complexity in data processing when performing damage identification.
The Kitagawa-Takahashi (KT) diagram is a well-established tool in the fatigue community for the prediction of the fatigue limit of metallic materials in presence of defects. Nevertheless, its determination is associated with a large number of fatigue tests carried out on specimens with artificial defects (notches) to describe the fatigue limit-defect size relationship in the short crack regime. The preparation of the specimens and the execution of the tests is time expensive. Therefore, few phenomenological models have been introduced in the past to provide a first approximation of the KT diagram based solely on the fatigue limit for smooth specimen and the fatigue crack propagation threshold for long cracks. Despite the use of such models is widely spread, these suffer from problems related to the uncertainties of the material parameters. Furthermore, the mechanics of short cracks, which is the physical mechanism behind the concept of the fatigue limit, is not considered. This work discusses the advantages and drawbacks of using short fatigue crack propagation models for predicting the fatigue limit of flawed metallic materials. The KT diagrams for a EA4T railway axle steel in as-received and full-hardened condition are approximated by means of the cyclic R-curve method.
Structural alloys are largely employed in key industrial sectors and their demand is predicted to rise rapidly for the next decades. Most of these materials require a large amount of energy for extraction and manufacturing, which causes the emission of greenhouse gases and other pollutants. Therefore, strategies for improving the sustainability of structural metallic alloys are urgently needed.
Additive Manufacturing (AM), in particular Laser Powder Bed Fusion (PBF-LB/M), aims to be a sustainable manufacturing process, as it allows the build-up of complex geometry in near net-shape from 3D models, while minimizing material waste and the energy required for the process and post-process treatments.
Nevertheless, the application of additively manufactured parts in structural safety-relevant applications is still hindered by the poor fatigue performance. The cause of this has been mainly attributed to the presence of manufacturing defects and surface roughness. Therefore, a huge effort has been made to optimize the process parameters and to introduce post-process treatments to minimize the defect content. However, material flaws cannot be fully eliminated, but these can be considered in a damage tolerance framework for the prediction of the fatigue performance of additively manufactured metallic materials, which is essential for part design and qualification.
This work aims at presenting different modelling strategies for the prediction of the fatigue limit of AM metals. Simple empirical models and more complex models based on fatigue short crack propagation are proposed. The investigated material is an AlSi10Mg alloy fabricated by PBF-LB/M and subjected to two different low-temperature heat-treatments (265°C for 1 h and 300°C for 2h). The results show that the models can provide good approximation of the fatigue limits and help in the interpretation of the scatter of fatigue data.
The presentation gives an overview about the current experiences of BAM regarding ageing management of transport packages in Germany.
The concept of the BAM-GGR 023 for ageing management of transport packagings will be described.
The fundamentals of BAM-GGR 023 will be shown, including the following key aspects:
-the organization of an Ageing Management System (AMS),
-the issue of an Ageing Management Plan (AMP),
-the ageing evaluation as a part of the AMP,
-the Ageing Surveillance Program (ASP) as a part of the AMP,
-the Ageing Management Documentation (AMD).
In vielen Anwendungen werden aufgrund zunehmender Anforderungen an den Widerstand gegenüber hohen, kombinierten mechanischen, tribologischen, thermischen und korrosiven Beanspruchungen Hochleistungsle¬gierungen eingesetzt. Den vielfach komplexen Bauteilstrukturen, herausfordernden Fertigungseigenschaften und der Erhöhung der Ressourceneffizienz lässt sich heute mit der additiven Fertigung (AM) begegnen, dem oftmals noch unzureichende Kenntnisse über die resultierende Homogenität und Anisotropie der speziellen Gefüge und den damit verbundenen Eigenschaften entgegensteht. Viele Anwendungen benötigen zudem definierte Oberflächen mit hohen Anforderungen an die Oberflächenintegrität, dem durch komplementären Einsatz von additiven und abtragenden Fertigungsschritten Rechnung getragen wird. Hochleistungslegierungen auf der Basis von Nickel oder Kobalt sind infolge der niedrigen Wärmeleitfähigkeit verbunden mit hoher Festigkeit und Zähigkeit äußerst herausfordernd mit Blick auf eine wirtschaftliche Zerspanung mit geometrisch bestimmter Schneide. Ein Vorhaben (IGF-Nr. 20.979 N/DVS-Nr. 1.3211) der BAM und TU Clausthal/ISAF befasst sich mit der Lösung dieser Problemstellung durch gezielte Beeinflussung des Gefüges mittels Modifikation der Schweißzusatzwerkstoffe und den Einsatz des ultraschallunterstützten Fräsens (US), bei gleichzeitiger Sicherstellung der geforderten Eigenschaften der untersuchten Werkstoffe. Es werden die Ergebnisse der Mikrostruktur und der Zerspanbarkeit der Modifikationen der MSG-Schweißung der FeNi36-Referenzlegierung mit 0,4 Gew.-% Zr und der Modifikationen der MSG-Schweißung der CoCr-Referenzlegierung mit 1 Gew.-% Zr sowie Hf vorgestellt. Abschließend werden aus den Ergebnissen Handlungsempfehlungen abgeleitet.
Since the function of materials is controlled by properties and processes on the atomic scale, ab initio based high-throughput methods are valuable strategies in materials design. For computational efficiency, they are however often restriction to T=0K calculations, while many technologically relevant materials properties and thermodynamic stabilities change when going from low to high temperatures. On the other hand, the constantly increasing performance of digital tools for simulation and data-driven science enables more targeted material development including these kinds of finite-temperature effects. A flexible infrastructure, including data management and workflow solutions is required to make this symbiosis user-friendly efficient. Within this presentation, examples from ab initio thermodynamics for the design of phase stabilities in hard-magnetic alloys and defect-phases in advanced high-strength steels will be demonstrated. We will discuss physical concepts with a focus at the impact of magnetic excitations. At the same time, the examples will be used to derive requirements and present solutions for a digital infrastructure. An outlook will be given to current strategies with the NDFI initiative NFDI-MatWerk.
Asphalt is one of the most common materials used in road construction. It is subject to both chemical and structural aging processes during use. At least to our knowledge, it is not currently known whether these aging processes also lead to a measurable change in the thermal properties of asphalt. If so, these changes could be exploited for non-destructive testing of the aging condition in situ. Photothermal analysis of a component surface involves looking at the time course of the surface temperature during and after pulse-like heating with an expanded laser beam. In the case of concrete surfaces, this method works well under laboratory conditions. It allowed the determination of the thermal effusivity. Now it should be investigated whether the photothermal signal allows conclusions to be made regarding the aging state of the asphalt. Within the scope of this paper, 2 asphalt specimens were investigated: a closed asphalt with 3% void content (SMA 11S) and an open-pore asphalt with 25% void content (PA 8). Both samples were artificially degraded according to a standardized procedure, leaving a portion of the surface unaffected. Subsections from both areas were then separated for photothermal testing. It was found, that the photothermal method is apparently not sensitive enough to detect aging on asphalt in general. However, it is noteworthy that both asphalt types heat up significantly faster than would be expected from the theory of heat conduction, which might be explained by the specific microstructure.
Thermodynamic bulk phase diagrams have become the roadmap used by researchers to identify alloy compositions and process conditions that result in novel materials with tailored microstructures. On the other hand, recent progress in experimental atomic-scale characterization techniques allows one to study the local chemical composition at individual defects such as interfaces, grain boundaries, dislocations and surfaces. They show that changes in the alloy composition can drive not only transitions in the bulk phases present in a material, but also in the concentration and type of defects they contain. Defect phase diagrams, using chemical potentials as thermodynamics variables, provide a natural route to study these chemically driven defects. Our results show, however, that the direct application of thermodynamic approaches can fail to reproduce the experimentally observed defect formation.
Therefore, we extend the concept to metastable defect phase diagrams to account for kinetic limitations that prevent the system from reaching equilibrium. We use ab initio calculations based on density functional theory to quantify the extension of regions where defect formation is expected. We successfully applied this concept to explain the formation of large concentrations of planar defects in supersaturated Fe2Nb Laves phases. In addition, we identify in a joint study with experiments conditions and structures in Mg-Al-Ca alloys for defect phase occurrence. The concept offers new avenues for designing materials with tailored defect structures.
Suitable material solutions are of key importance in designing and producing components for engineering systems – either for functional or structural applications. Materials data are generated, transferred, and introduced at each step along the complete life cycle of a component. A reliable materials data space is therefore crucial in the digital transformation, both in academia and industry.
Therefore, the consortium NFDI MatWerk aims to develop a sustainable infrastructure for the standardized digital representation of materials science and engineering (MatWerk). The goal is to seamlessly integrate decentralized data and metadata, experimental and computational workflows, and a materials ontology to maximize interoperability and reproducibility of materials data processing. To this end, data use profiles of participant projects from different sub-disciplines are analyzed to identify the most relevant scientific scenarios within MatWerk.
Similarly, the Plattform MaterialDigital (PMD) is committed to provide a prototypical infrastructure for the digitalization of materials in an industrial context implemented by decentralized data servers, semantic data schemas and digital workflows. The standards, methods, and tools developed within the PMD are deployed and consolidated within the context of currently more than 20 BMBF-funded academic and industrial research consortia. Scientific workflow environments represent a major focus area, including efforts to improve the definition and representation of digital workflows, as well as their distribution in form of a workflow store.
In this presentation we will describe the overarching visions behind these initiatives, their status, and progress of dissemination with a focus on the workflow activities. Following the philosophy of both consortia, specific examples will be used to demonstrate innovative and pragmatic solutions.
Defect-hydrogen interaction in Al alloys: Challenges and benefits revealed by ab initio calculations
(2023)
Climate change motivates the search for light-weight materials for transportation and energy storage solutions. As one of the challenges, the deleterious effect of hydrogen on the mechanical properties of metallic alloys is known to reduce the applicability of metallic alloys, motivating the characterization and simulation of hydrogen-defect interactions in these materials. In this work, the interaction of hydrogen with planar defects in aluminium has been investigated by means of ab initio simulations.
On the one hand, two distinct types of GBs have been considered – the Σ11(113) [011] with a close-packed interface structure and the Σ5(210) [001] with a more open interface structure – in order to reveal the mechanisms governing the H segregation energetics. The investigations are afterwards extended to the impact of solutes in the Al alloy. Two scenarios are compared: Their segregation to the grain boundaries and their binding in precipitates. We therewith gained insights into the role of the solute size on the structural and chemical embrittlement in absence and presence of hydrogen. A thermodynamic assessment of the impact of solutes onto H chemisorption in the interfacial vicinity is provided by performing a high-throughput analysis for potential alloying candidates. The identified trends of the solute-H interactions are used to examine the relative importance of changes in hydrogen enhanced decohesion as a thermodynamic effect.
On the other hand, the interaction of hydrogen with defects can be beneficial for the formation of metal hydrides. To enhance the formation and stability of such often highly volatile hydrides we have consider a novel concept: tailoring and employing the negative pressure of microstructural and structural defects to enhance H solubility and thus hydride formation. Using systematic ab initio and atomistic simulations, we demonstrate that an enhancement in the formation of hydrides at the negatively pressurized crack tip region is feasible by increasing the mechanical tensile load on the specimen. The theoretical predictions have been used to reassess and interpret atom probe tomography experiments for a high-strength 7XXX-aluminium alloy that show a substantial enhancement of hydrogen concentration at structural defects near a stress-corrosion crack tip. Based on these insights we derive strategies for enhancing the capability of metals as H-storage materials.
Thermodynamic bulk phase diagrams have become the roadmap used by researchers to identify alloy compositions and process conditions that result in novel materials with tailored microstructures. On the other hand, recent progress in experimental atomic-scale characterization techniques allows one to study the local chemical composition at individual defects such as interfaces, grain boundaries, dislocations and surfaces. They show that changes in the alloy composition can drive not only transitions in the bulk phases present in a material, but also in the concentration and type of defects they contain. Defect phase diagrams, using chemical potentials as thermodynamics variables, provide a natural route to study these chemically driven defects. Our results show, however, that the direct application of thermodynamic approaches can fail to reproduce the experimentally observed defect formation.
Therefore, we extend the concept to metastable defect phase diagrams to account for kinetic limitations that prevent the system from reaching equilibrium. We use ab initio calculations based on density functional theory to quantify the extension of regions where defect formation is expected. We successfully applied this concept to explain the formation of large concentrations of planar defects in supersaturated Fe2Nb Laves phases. In addition, we identify in a joint study with experiments conditions and structures in Mg-Al-Ca alloys for defect phase occurrence. The concept offers new avenues for designing materials with tailored defect structures.
Extensive experimental observations indicate the presence of nano-voids and the increase of free volume along the grain boundaries in hydrogen contaminated metals. This rate-dependent phenomenon motivates theoretical investigations of the underlying mechanisms. Here, a hydrogen enhanced cross-slip (HECS) mechanism in the close vicinity of the grain boundaries is demonstrated by direct molecular dynamics simulations. To this end, the interaction of the screw dislocations with a variety of symmetric tilt grain boundaries in H-charged and H-free bicrystalline nickel specimens is examined. The presence of segregated hydrogen atoms at the grain boundaries induces a stress field in their vicinity, and thus the barrier for cross-slip of screw dislocations considerably decreases. The enhanced crossslip of dislocations facilitates the formation of jogs. These jogs can form vacancies during the glide process. This mechanism shows nano-scale evidence of enhanced vacancy formation and subsequent increase in the free volume along the grain boundaries in the presence of H. This increase of the free-volume along the grain boundary dmaages the material and induce further embrittlement in addition to the direct effect of hydrogen in decreasing the fracture energy.
Suitable material solutions are of key importance in designing and producing components for engineering systems – either for functional or structural applications. Materials data are generated, transferred, and introduced at each step along the complete life cycle of a component. A reliable materials data space is therefore crucial in the digital transformation of an industrial branch.
Therefore, the “Innovation Platform MaterialDigital (PMD) funded by the German Federal Ministry of Education and Research (BMBF), aims to develop a sustainable infrastructure for the standardized digital representation of materials science and materials engineering. With its partners (KIT, Fraunhofer IWM, FIZ, Leibnitz IWT, BAM, MPIE), the PMD is committed to build up a materials science data space. To achieve this the PMD provides a prototypical infrastructure for the digitalization of materials implemented by decentralized data servers, standardized data schemas and digital workflows. Following the FAIR principles, it will promote the semantic interoperability across the frontiers of materials classes.
Standards, methods, and tools developed within the platform are deployed and consolidated within the context of currently near 20 BMBF-funded academic and industrial research consortia and made available to the material science community in general. In this context scientific workflows represent a major focus area, represented within the platform by the workflow frameworks pyiron and SimStack. In consequence, the platform is building up a digital library in form of a workflow store along with common standards for the definition and representation of digital workflows.
In this presentation we will describe the status of our Platform MaterialDigital with a focus on the workflow activities. The current status and the vision for dissemination of the solutions developed in the PMD within the community are provided.
Material science problems have intrinsically multiscale and multiphysics characters, and require us to employ a combination of methods on different time and length scales to resolve critical features. Normally creating workflows that connect data in multiple scales and various methods is a cumbersome task. Pyiron, an integrated development environment (IDE) for material science, contains modules for the atomistic as well as continuum scale that make a seamless connection possible. To this end, it provides a high-level coherent language in a unified workflow platform to study materials, for example, with density functional theory (DFT) simulations in the same framework as with the finite element method (FEM). In this work, in addition to the introduction of different features in pyiron and its continuum module, a couple of exemplary workflows are demonstrated, bridging the scales in pyiron. One such workflow is analyzing the elastoplastic response of metallic alloys, where the elastic properties of the system are dependent on the atomistic composition and structure of the alloy. We use pyiron atomistics to model the dependence of elastic moduli on the atomistic composition of Al-Mg alloys. Benefiting from the integration of DAMASK in the continuum module of pyiron, the model can be used as an input to simulate the elastoplastic response of the alloy under various loadings. In addition, finite element simulations using the FEniCS package are currently integrated into the continuum module and will be demonstrated in the presentation.
Thermodynamic bulk phase diagrams have become the roadmap used by researchers to identify alloy compositions and process conditions that result in novel materials with tailored microstructures. Recent experimental studies show that changes in the alloy composition can drive not only transitions in the bulk phases present in a material, but also in the concentration and type of defects they contain. Defect phase diagrams in combination with density functional theory provide a natural route to study these chemically driven defects. Our results show, however, that direct application of thermodynamic approaches can fail to reproduce the experimentally observed defect formation. Therefore, we extend the concept to metastable defect phase diagrams to account for kinetic limitations that prevent the system from reaching equilibrium. We successfully applied this concept to explain the formation of large concentrations of planar defects in supersaturated Fe-Nb solid solutions and to identify in a joint study with experiments conditions in Mg-Al-Ca alloys for defect phase occurrence. The concept offers new avenues for designing materials with tailored defect structures.
Understanding segregation to grain boundaries, and eventually their defect phase diagrams, is critical to enable rational grain boundary engineering for alloys design. Here, we discuss the progress and challenges one may face when generating such a database of defect-solute interactions, in the context of studying of grain boundary segregation of solutes and impurities in Fe GBs. To compute the large number of relevant defect-solute interactions we have performed high-throughput ab initio calculations using efficient and highly automated workflows using pyiron. We study has been performed across a representative set of coincident-site-lattice (CSL) type tilt GBs. Based on the large ab-initio datasets, we extract and analyse the chemical and structural trends observed in the solute segregation behaviour across the periodic table. The features which are most important in evaluating site segregation are presented and discussed.
Suitable material solutions are of key importance in designing and producing components for engineering systems – either for functional or structural applications. Materials data are generated, transferred, and introduced at each step along the complete life cycle of a component. A reliable materials data space is therefore crucial in the digital transformation and an important prerequisite for machine learning in materials science.
Therefore, the consortium NFDI MatWerk aims to develop a sustainable infrastructure for the standardized digital representation of materials science and engineering (MatWerk). The goal is to seamlessly integrate decentralized data and metadata, experimental and computational workflows, and a materials ontology to maximize interoperability and reproducibility of materials data processing. To this end, data use profiles of participant projects from different sub-disciplines are analyzed to identify the most relevant scientific scenarios within MatWerk.
Similarly, the Plattform MaterialDigital (PMD) is committed to provide a prototypical infrastructure for the digitalization of materials in an industrial context implemented by decentralized data servers, semantic data schemas and digital workflows. The standards, methods, and tools developed within the PMD are deployed and consolidated within the context of currently more than 20 BMBF-funded academic and industrial research consortia. Scientific workflow environments represent a major focus area, including efforts to improve the definition and representation of digital workflows, as well as their distribution in form of a workflow store.
In this presentation we will describe the overarching visions behind these initiatives, their status, and progress of dissemination with a focus on the workflow activities and the connection to machine learning applications. Following the philosophy of both consortia, specific examples will be used to demonstrate innovative and pragmatic solutions.
Fracture mechanics-based methods can be applied to the fatigue assessment of mechanical components containing defects or cracks subjected to cyclic loading. The knowledge of the crack growth behavior for short and long cracks enables the determination of both finite and infinite life regimes. Nevertheless, a first problem arises from the empirical determination of the fatigue data, which vary according to the test conditions, e.g., the test method, frequency and the stress ratio R. This is due to crack closure and further environmental phenomena affecting crack propagation behavior. A second issue regards the lack of standard experimental procedures for the determination of the fatigue crack propagation threshold ΔKth dependency on the crack size. This is problematic, since ΔKth increases with the build-up of the closure effects in the short crack regime and its inaccurate experimental determination leads to large deviations in the assessment and, even more critical, to non-conservative predictions. Aiming at providing more reliable and safer assessment procedures, the present work proposes a method based on effective crack growth data obtained at high stress ratios (R ≈ 0.8). A short-crack model based on the cyclic R-curve and CPLR data is employed for describing the development of the closure effects. The predictions are compared to established methods and validated by experimental tests.
Since the function of materials is controlled by properties and processes on the atomic scale, ab initio based high-throughput methods are valuable strategies in materials design. For computational efficiency, they are however often restriction to T=0K calculations, while many technologically relevant materials properties and thermodynamic stabilities change when going from low to high temperatures. On the other hand, the constantly increasing performance of digital tools for simulation and data-driven science enables more targeted material development including these kinds of finite-temperature effects. A flexible infrastructure, including data management and workflow solutions is required to make this symbiosis user-friendly efficient. Within this presentation, examples from ab initio thermodynamics for the design of phase stabilities in hard-magnetic alloys and defect-phases in advanced high-strength steels will be demonstrated. We will discuss physical concepts with a focus at the impact of magnetic excitations. At the same time, the examples will be used to derive requirements and present solutions for a digital infrastructure. An outlook will be given to current strategies with the NDFI initiative NFDI-MatWerk.
Thermodynamic bulk phase diagrams have become the roadmap used by researchers to identify alloy compositions and process conditions that result in novel materials with tailored microstructures. On the other hand, recent progress in experimental atomic-scale characterization techniques allows one to study the local chemical composition at individual defects such as interfaces, grain boundaries, dislocations and surfaces. They show that changes in the alloy composition can drive not only transitions in the bulk phases present in a material, but also in the concentration and type of defects they contain. Defect phase diagrams, using chemical potentials as thermodynamics variables, provide a natural route to study these chemically driven defects. Our results show, however, that the direct application of thermodynamic approaches can fail to reproduce the experimentally observed defect formation.
Therefore, we extend the concept to metastable defect phase diagrams to account for kinetic limitations that prevent the system from reaching equilibrium. We use ab initio calculations based on density functional theory to quantify the extension of regions where defect formation is expected. We successfully applied this concept to explain the formation of large concentrations of planar defects in supersaturated Fe2Nb Laves phases. In addition, we identify in a joint study with experiments conditions and structures in Mg-Al-Ca alloys for defect phase occurrence. The concept offers new avenues for designing materials with tailored defect structures.
Im Vortrag wird zunächst erläutert, dass auch im Fall der Wasserstoffversorgung die Schadensanalyse, -vermeidung und die wiederkehrende Prüfung von Speichern in engem Zusammenhang stehen.
Der Wasserstofftransport in Deutschland hat bereits deutlich zugenommen und wird in den nächsten Jahren weiter erheblich zunehmen. Dies führt zu einem stärkeren Fokus auf die wirtschaftlichen Aspekte im Transport und der wiederkehrenden Prüfung. Letztere droht, ohne neue technische Ansätze zum Flaschenhals in der Verfügbarkeit vorhandener Transportkapazitäten zu werden.
Das gegenwärtige System der Wasserdruckprüfung bis zum sog. Prüfdruck mit Innen- und Außenbesichtigung etc., die im Normalfall alle 5 Jahre durchzuführen ist, führt zu jeweils etwa 8 Wochen Stillstand. Das Aufwendige dabei sind die Trocknungs- und Spülprozesse, die notwendig sind, um wieder entsprechend reinen Wasserstoff abfüllen zu können. Auf Basis der BAM GGR‘n 021 und 022 lässt sich beim Nachweis entsprechender, probabilistischer Restzuverlässigkeiten diese Frist in Deutschland auf 10 Jahre ausdehnen. Diesen Weg sind in den letzten Jahren viele Betreiber gegangen.
Mit Blick auf die derzeit fast exponentielle Zunahme von Transporteinheiten kann auch diese Verlängerung der Prüffristen das Problem nicht lösen. Auch das Umschwenken von hydraulischer, auf die heute bereits genehmigungsfähige Gasdruckprüfung bis zum Prüfdruck bringt zwar eine Verkürzung der Stillstandzeiten, erfordert aber erhebliches Investment in Schutzmaßnahmen.
Als hinreichend zielführendes Konzept für Transporteinheiten mit vielen Elementen wird im Vortrag eine Mischung aus probabilistischem Ansatz und zerstörungsfreien Prüfungen erläutert und bzgl. Aufwand und Nutzen im Vergleich zu den üblichen Verfahren visualisiert. Voraussetzung für diesen vorgestellten Ansatz sind die Weiterentwicklung und Qualifizierung der Schallemissionsanalyse als Ersatz für die derzeitig zerstörenden Prüfungen und auch eine durchgängig digitale Lebenslaufakte, die eine lückenlose Zuordnung von Baumusterprüfung, Herstellungslos, Betreiber und Betriebsdaten erlaubt.
Für Transporteinheiten mit wenigen, sehr großen Elementen wird dagegen das sog. Online-Monitoring mit fest installierter und permanent messender Technik gesehen.
Für die Anwendung beider Lösungsansätze sind umfangreiche Änderungen im Recht erforderlich.
Research into new sources for EUV lithography is driving advancements in experimental methods tailored for this short wavelength range. This progress enables the exploration of spectroscopic techniques aimed at monitoring electronic transitions within this energy spectrum. Laser-induced breakdown spectroscopy (LIBS) serves as a rapid tool for elemental analysis, primarily established in the UV-vis range. However, LIBS encounters challenges such as limited repeatability precision and elevated background noise resulting from continuum radiation.
In parallel, laser-induced extreme UV spectroscopy (LIXS) delves into the initial stages of plasma evolution, characterized by the emergence of soft X-ray and extreme UV radiation. The method benefits from a fast timeframe and constrained plasma confinement, leading to better precision. Nevertheless, LIXS encounters convoluted spectra arising from unresolved transition arrays (UTA), particularly pronounced for heavier elements. This complexity renders conventional univariate data analysis impractical, demanding the adoption of a multivariate data analysis approach.
Multiple cathode samples, each coated with varying stoichiometries of lithium nickel manganese cobalt oxide (NMC), were prepared and used for calibration purposes. Through the application of Partial Least Squares (PLS) regression, a robust correlation with an R2 value exceeding 0.97 was achieved. The LIXS technique underwent a comparative evaluation against UV-vis LIBS. Furthermore, a comparison between univariate and multivariate analysis approaches was conducted, incorporating validation through y-randomization to mitigate overfitting risks.
The viability of this approach was confirmed through the testing of an NMC reference material. The results showed metrological compatibility with reference values, underscoring the potential capability of the proposed methodology.
Das Bundesverkehrsministerium hat seit 2008 in drei Stufen jeweils auf Vorschlag der BAM einen Antrag zur Einführung bzw. Regulierung von Bergungsdruckgefäßen bei den Vereinten Nationen eingebracht. Die Anträge führten jeweils nach der Delegation in eine Arbeitsgruppe unter der Leitung des Vortragenden zu neuen Vorschriften im internationalen Gefahrguttransportrecht.
Zuletzt hat das UN-Subcommittee der Experten für den Transport gefährlicher Güter der Einführung einer Druck-Volumen-Begrenzung für Druckgefäße zugestimmt. Mit dieser Begrenzung wurde die bisherige Volumenbegrenzung für Bergungsdruckgefäße ersetzt, wodurch nun das Spektrum der Bergungsdruckgefäße gestaltet werden kann, das notwendig wäre, um defekte Druckgefäße transportieren zu können.
Das zentrale Kriterium für die Begrenzung des Druck-Volumen-Produktes (pV) fand bereits in den Landverkehrsvorschriften ADR/RID bis zu ihrer Neustrukturierung auch als Konsequenzmaß Verwendung. Damit soll sichergestellt werden, dass sich aus Wasserstofftransporten in Druckgefäßen keine Konsequenz entwickeln kann, die nach den Kriterien für stationäre Anlagen, einer Katastrophe gleichkommen würde.
Hierzu hatte eine Arbeitsgruppe der Vereinten Nationen seit 2020 auf Vorschlag der BAM eine Kette aufeinander aufbauende Kriterien diskutiert, die im Vortrag vorgestellt werden:
Einfluss der Druckwellen auf den menschlichen Körper (ohne Splitterwirkung oder Umsetzung der chemischen Energie) – Zusammenhang von Druckwelle und Fläche – Druckwellenberechnung – Bevölkerungsdichte – Grenzwerte für eine Katastrophe – resultierendes pV-Produkt.
Das Ergebnis wurde mit herausragenden Großunfällen und Katastrophen aus dem Gefahrguttransport und Gefahrstoffbereich verglichen. Außerdem wurden noch die Effekte des Temperatureinflusses auf den maximalen Betriebsdruck diskutiert. Zuletzt wurde bei den UN darauf hingewiesen, dass mit Blick auf die Auswirkungsbetrachtung der Wassersoff das Gas mit den geringsten Konsequenzen bei gegeben Druk-Volumen-Produkt ist, was zu restriktiveren Obergrenzen für z.B. Erdgas führen könnte.
Als letzter Punkt im Vortrag wird erläutert, dass in den kommenden UN-Sitzungen über nachfolgende Änderungen im Recht, wie z.B. der Kennzeichnung des pV-Produktes, diskutiert werden wird. Außerdem muss ein neuer Einstieg für die bei ISO in der Normung befindliche Umschließungen mit einem größeren pV-Produkt gefunden werden, wozu aber Transportland-spezifische Risikoanalysen in Verbindung mit massiven Fahrwegsbeschränkungen zu erwarten sind.
The overview of the activity of Federal Institute for Material Research and Testing (BAM, Belin, Germany) in the field of additively manufacturing material characterization will be presented. The research of our group is focused on the 3D imaging of AM materials by means of X-ray Computed Tomography at the lab and at synchrotron, and the residual stress characterization by diffraction (nondestructive technique). Also, two successful research project in collaboration with CAM2, Sweden are presented.
In this work we present results for three typical sealing materials (EPDM, HNBR, FKM) after up to 100 days ageing at high temperature under hydrogen. To allow for a better evaluation of the occurring changes the results are compared with effects of ageing in air on the material properties. Despite the common assumption that ageing under hydrogen atmosphere is expected to be less severe for the material in com-parison to air ageing, this is not seen for every material.
In particular, the rapid development of lateral flow assays as indispensable tools for everyone to contain the SARS-CoV-2 pandemic has fuelled the global demand for analytical tests that can be used outside dedicated laboratories. In addition to their use in medical diagnostics, rapid tests and assays have become increasingly important in various fields such as food safety, security, forensics, and environmental management. The advantage is obvious: taking the assay directly to the sample minimizes the time between suspicion and decision-making, allowing faster action. Especially today, when mobile communication devices with powerful computing capabilities and built-in cameras are ubiquitous, more people than ever before around the world have the basic skills to operate a powerful detector at their fingertips. This sets the stage for a much wider use of analytical measurements in terms of prognosis and prevention, enabling professional laypersons in particular.
However, current strip-based systems are primarily focused on single parameter analysis, whether it is SARS-CoV-2 biomarkers, blood glucose levels, or lead concentrations in water samples. Industrial applications of such methods also often still rely on single-parameter assays, requiring multiple runs even for a limited number of key parameters. Overcoming these limitations depends on developing low-number multiplexing strategies that ensure robustness, reliability, speed, ease of use, and sensitivity.
This lecture will give an overview of several generic approaches developed in recent years to address these challenges. It will highlight how the synergy of supramolecular (bio)chemistry, luminescence detection, hybrid (nano)materials and device miniaturization can result in powerful (bio)analytical assays that can be used at a point-of-need.1-5 Selected examples will introduce key aspects of such systems that include tailored signaling mechanisms and recognition elements, materials functionalization and device integration, including hybrid nanomaterials, gated indicator release systems, strip modification, and smartphone-based analysis.
The development of a Lab-on-a-Chip (LoC) is presented, which can detect reactive phosphorous compounds in the gas phase in combination with an optochemical hand-held sensor. The LoC prototype contains three pairs of sensing materials containing fluorescent indicator dyes in various carrier materials. By measuring the fluorescence response to phosphoryl chloride, a surrogate compound, the detection of chemical warfare agents (CWAs) in gas phase becomes possible within seconds, introducing a novel approach to CWA detection.
The progress of the VAMAS interlaboratory comparison Project P13 "Lateral size of graphene oxide flakes by SEM" within the Technical Working Area 41 "Graphene and Related 2D Materials" is presented. The challenges at sample preparation on substrates for accurate measurement and image analysis as well as two different analysis approaches, containing exact guidance how to measure the main descriptors for the lateral size measurement of the imaged graphene oxide flakes with Scanning Electron Microscopy are highlighted. The implementation of the results into the corresponding ISO technical specification AWI/TS 23879 is also discussed and planned, in relation with the AFM part.
Der Absorptionsgrad metallischer Werkstoffe spielt bei Fügeprozessen mit einer Strahlungsquelle wie dem Hochleistungslaserstrahltiefschweißen eine bedeutende Rolle. Dieser beeinflusst die Menge der absorbierten Laserenergie, welche zum Aufschmelzen sowie zur lokalen Verdampfung des zu verbindenden Materials führt. Eine der wichtigsten Eigenschaften der Laserstrahlabsorption ist die Temperaturabhängigkeit. Dennoch wird sie in vielen Simulationsarbeiten häufig ignoriert und stattdessen ein angepasster Parameter zur Kalibrierung der Ergebnisse implementiert. Diese Vorgehensweise wirkt sich negativ auf die Zuverlässigkeit sowie die Genauigkeit des numerischen Modells sowie auf die Vorhersagbarkeit der Simulationsergebnisse aus. In der vorliegenden Arbeit wird die Temperaturabhängigkeit der Laserabsorption in ein selbstkonsistentes zweiphasiges Modell unter Berücksichtigung der gekoppelten 3D-Fluidströmung und Wärmeübertragung einbezogen. Die berechnete Laserstrahlabsorption wird durch die temperaturabhängigen Materialeigenschaften, die Lasercharakteristik und den Einfallswinkel des Laserstrahls bestimmt. Die freie Oberfläche jeder Phase wird mithilfe der volume-of-fluid Methode, kurz VOF, berechnet und die Laser-Material-Wechselwirkung wird durch ein neulich implementiertes Ray-Tracing-Verfahren modelliert, die auf einem lokalisierten Level-Set-Algorithmus basiert. Anschließend wird die transiente Wärmeeinbringung und die Geometrie der Schweißnaht analysiert und mit dem temperaturunabhängigen Absorptionsmodell verglichen. Es wurde festgestellt, dass die Temperaturabhängigkeit der Laserabsorption entscheidend für die genaue Bestimmung der Wärmeeinbringung und der Schmelzbadgeometrie ist. Das entwickelte Modell wurde anhand der experimentellen Untersuchungen validiert und die Bedeutung der Temperaturabhängigkeit bei der Laserstrahlabsorption wurde für die Simulation des Laserstrahltiefschweißens aufgeklärt.