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Advancing Digital Transformation in Material Science: The Role of Workflows Within the MaterialDigital Initiative
No full textThe MaterialDigital initiative represents a major driver toward the digitalization of material science. Next to providing a prototypical infrastructure required for building a shared data space and working on semantic interoperability of data, a core focus area of the Platform MaterialDigital (PMD) is the utilization of workflows to encapsulate data processing and simulation steps in accordance with findable, accessible, interoperable, and reusable principles. In collaboration with the funded projects of the initiative, the workflow working group strives to establish shared standards, enhancing the interoperability and reusability of scientific data processing steps. Central to this effort is the Workflow Store, a pivotal tool for disseminating workflows with the community, facilitating the exchange and replication of scientific methodologies. This article discusses the inherent challenges of adapting workflow concepts, providing the perspective on developing and using workflows in the respective domain of the various funded projects. Additionally, it introduces the Workflow Store’s role within the initiative and outlines a future roadmap for the PMD workflow group, aiming to further refine and expand the role of scientific workflows as a means to advance digital transformation and foster collaborative research within material science
Quantitative Assessment of Microbial Transmission onto Environmental Surfaces Using Thermoresponsive Gelatin Hydrogels as a Finger Mimetic under In Situ-Mimicking Conditions
No full textSurface-mediated transmission of pathogens plays a key role in healthcare-associated infections. However, proper techniques for its quantitative analysis are lacking, making it challenging to develop novel antimicrobial and anti-fouling surfaces to reduce pathogen spread via environmental surfaces. This study demonstrates a gelatin hydrogel-based touch transfer test, the HydroTouch test, to evaluate pathogen transmission on high-touch surfaces under semi-dry conditions. The HydroTouch test employs gelatin as a finger mimetic, facilitating testing with pathogenic bacteria under controlled conditions. The thermoresponsive sol–gel transition of gelatin allows easy recovery and quantification of bacteria before and after testing. The HydroTouch test demonstrates that methicillin-resistant Staphylococcus aureus has a high transmission efficiency of ≈16% onto stainless steel, compared to <3% for Escherichia coli or Pseudomonas aeruginosa. Polyurethane surfaces exhibit strong resistance to bacterial contamination with a transmission efficiency of ≈0.6%, while polytetrafluoroethylene shows a transmission efficiency approximately four times higher than polyurethane. Additionally, quaternary ammonium-based antimicrobial coatings reduce the transmission efficiency of live bacteria on stainless steel to ≈4% of the original level. The HydroTouch test provides a reliable method for assessing pathogen transmission on various surfaces under semi-dry settings, supporting the development of effective antimicrobial, anti-transmission coatings to reduce healthcare-associated infections
Phenotypic heterogeneity in bacterial lag times and antibiotic tolerance induced by the disinfectant glutaraldehyde
No full textPhenotypic heterogeneity in clonal bacterial populations can be considered a preliminary stage of functional differentiation, which may increase population fitness in fluctuating environments. Here, we investigated how transient exposure of clonal bacterial populations to residual amounts of a commonly used disinfectant, glutaraldehyde (GTA), induces phenotypic heterogeneity, ensuring survival of the population upon sudden challenge with high doses of antibiotics. Using the ScanLag system, we found that exposure to GTA resulted in wide lag-time distributions across different bacterial isolates of E. coli, S. aureus, and P. aeruginosa. Importantly, this was associated with elevated levels of survival (i.e. tolerance) towards lethal doses of antibiotics. As revealed by RNAseq in E. coli, GTA exposure caused global transcriptome remodeling, with more than 1200 differentially expressed genes of diverse biological functions. Several of these genes that were not previously associated with antibiotic tolerance or persistence induced, when overexpressed alone, antibiotic tolerance without showing a lag phenotype. This suggests that exposure to GTA induces unspecific, lag-dependent and specific, lag-independent tolerance to antibiotics in clonal bacterial populations. These findings have implications for 1.) settings where disinfectants and antibiotics are used in close proximity, such as hospitals and animal husbandry, and 2.) for the selection dynamics of tolerant pheno- and genotypes in fluctuating environments because of the trade-off that arises from exiting lag and resuming growth as fast as possible and maintaining antibiotic tolerance. This trade-off may be weakened by phenotypically heterogeneous clonal populations as induced by GTA
Deep geological disposal - Editorial to the topical collection
No full textThe subsurface geological environment, historically a key source of fossil and mineral resources, has seen a significant broadening of its potential applications in recent years, with increasing emphasis on its use for energy production and storage.
A critical factor in utilizing subsurface space is ensuring the sustainability of management practices, with particular attention to the potential environmental impacts that may result.
The current Topical Collection on Deep Geological Disposal places greater emphasis on the geotechnical aspects of geological disposal, with a particular focus on the safe isolation of hazardous materials, including radioactive waste. The Topical Collection on Deep Geological Disposal covers both experimental (laboratory and in-situ) and theoretical studies of various geotechnical applications, such as geological disposal of radioactive or other materials, e.g. coal-based solid waste, carbon dioxide sequestration in fractured reservoirs, and brine solutions, but also aspects of uranium mining.
The articles in the Topical Collections are arranged under
the following headings:
– Fundamental studies
– Experimental studies
– Numerical studie
Management of reference data in materials science and engineering exemplified for creep data of a single-crystalline Ni-based superalloy
No full textThe identification of process-structure-property relationships of materials inevitably requires the combination of research data from different measurements. Therefore, the concepts related to FAIR (findable, accessible, interoperable, reusable) data handling, increasingly reported in literature, are particularly important in the materials science and engineering domain. However, they have not yet been integrated into a single, overarching methodological framework, particularly for reference data. Here, we introduce such a framework. Our concept covers data generation, documentation, handling, storage, sharing, data search and discovery, retrieval, and usage. Furthermore, we prototypically implement it using a real dataset with creep data of a single-crystal CMSX-6 Ni-based superalloy. The presented implementation is traceable and permanently accessible through open repositories. The individual elements considered in the framework ensure the functionality and usability of the data and, thus, the adherence to the FAIR principles. In conjunction with this, we present a definition for reference data of materials. Our definition underlines particularly the importance of a comprehensive documentation, e.g., on material provenance, data processing procedures, and the software and hardware used, including software-specific input parameters, as these details enable data users or independent parties to assess the quality of the datasets and to reuse and reproduce the results. Reference data that is managed according to the proposed framework can be used to advance knowledge in the materials science and engineering domain, e.g., by identifying new process-structure-property relations
Sensorträger Einsatzkraft – System zur Erfassung der kurzzeitdynamischen Belastung von Einsatzkräften
No full textEinsatzkräfte von Feuerwehr, Polizei, THW, etc., aber auch Passanten, sind im Training und auch der realen Gefahrenlage einer Vielzahl von Belastungen ausgesetzt. Neben u.a. Gefahrstoffen, elektromagnetischer Strahlung gibt es besondere Gefährdungen wie z. B. Explosionen, die durch eine kurzzeitdynamische Einwirkung charakterisiert sind. Dabei stellt die Überdruckbelastung eine unzureichend erfasste Gefährdung dar [1]. Zur Beurteilung dieser Gefährdung und potenzieller Schutzmöglichkeiten, ist die Erfassung und Charakterisierung der auftretenden Lastfälle in realistischen Einsatz- und Trainingsszenarien mit hochauflösender Messtechnik nötig [2, 3]. Bei der Erfassung sollen der Trainings- oder Einsatzablauf und die körperliche Belastung so gering wie möglich beeinflusst werden. Dies kann mit aktuell verfügbaren Messsystemen nicht gewährleistet werden.
Die BAM stellt daher ein System, den „Sensorträger Einsatzkraft“ (StEk), als Prototyp vor. Dieser Prototyp besteht aus einem autarken, kurzzeitdynamischen Messsystem zur Erfassung der Überdruckbelastung von exponierten Personen. Das in einem Rucksack untergebrachte Messsystem zeichnet sich durch geringes Gewicht und Autarkie aus und ermöglicht damit erstmals den dynamischen Einsatz hochauflösender Messtechnik in Trainings- oder Einsatzszenarien mit wissenschaftlichem Anspruch.
In Situationen, in denen der Einsatz eines Menschen nicht möglich ist, kann der StEk auch mit einem teilweise biofidelen Dummy mit ergänzender, verbauter Sensorik, eingesetzt werden. Darüber hinaus können mit diesem Ansatz kommerziell erhältliche Druckmonitoring-Tools auf ihre Eignung evaluiert und validiert werden.
Derzeit wird ein weiteres autarkes Messsystem aufgebaut, das hinsichtlich der Leistungsfähigkeit der verbauten Messtechnik eine Weiterentwicklung des Prototyps darstellt. Neben der Erfassung kurzzeitiger dynamischer Belastungen sollen auch Belastungen des Trägers wie Lärm, körpernahe Temperatur und Wärmestrahlung erfasst werden können
Effect of keyhole and lack-of-fusion pores on the anisotropic microstructure and mechanical properties of PBF-LB/M-produced CuCrZr alloy
No full textDue to the high reflectance and heat conductivity of copper and its alloys, the processing window for laser-based powder bed fusion (PBF-LB/M) processing of high-density copper components fundamentally overlaps with conduction and keyhole melting zones, resulting in the emergence of certain pores in the structure of printed parts. The present research aims to study how the development of process-induced lack-of-fusion or keyhole porosities during the PBF-LB/M process can affect the anisotropic microstructure and mechanical properties of the produced copper alloys. For this purpose, several samples were produced utilizing a similar CuCrZr-feedstock composition but varied process parameters from different areas of the PBF-LB/M processing window, specifically at laser powers of 300 W and 380 W which define the boarders of the conduction and keyhole regimes. X-ray computed tomography (XCT) revealed that the 300-W and 380-W samples achieved relative densities of 98.88% and 99.99%, respectively, with elongated lack-of-fusion pores forming at 300 W and semi-spherical keyhole pores at 380 W. Microstructural analyses employing scanning electron microscopy (SEM) and electron backscatter diffraction (EBSD) demonstrated strong anisotropy in different build directions of the samples, owing to the growth of long columnar grains with intense < 101 orientation along the build directions. Here, the emergence of different types of pores can cause competition between the epitaxial growth of columnar grains and the heterogeneous nucleation of new grains on the layers’ interfaces, thereby significantly varying the grain size, preferred orientation, crystallographic texture, and microstructural anisotropy of the samples. Furthermore, compression tests and nanoindentation measurements of the printed alloys in the longitudinal and transverse directions revealed that the 300 W and 380 W samples exhibited compressive strength anisotropies of 0.061 and 0.072, and average nanoindentation hardness values of 1.3 GPa and 1.5 GPa, respectively. The orientation of elongated lack-of-fusion porosities perpendicular to the loading axis was identified as the most damaging factor, significantly reducing mechanical performance compared to the uniformly distributed keyhole pores
Progressively smaller glacier lake outburst floods despite worldwide growth in lake area
No full textGlacier lake outburst floods (GLOFs) may originate from larger lakes as these continue to grow with ongoing glacier retreat; however, this perception remains poorly supported in available GLOF databases.
Here we mapped the areas of 1,686 glacier lakes, just before they drained, across 13 glaciated mountain regions outside polar regions and examined the trends in pre-GLOF lake areas between 1990 and 2023. We found that pre-GLOF lake areas barely changed, or even decreased, regionally through time, even as the total lake area, and thus hazard potential, grew overall. This counterintuitive finding reflects limits to growing GLOF magnitudes, such as the decoupling of lakes and parent glaciers, the development of wide, low-gradient outlets or human management. Across all regions, pre-GLOF lake areas depend on a few ice-dammed lakes, which have produced ten times more reported outbursts and ten times larger outbursts than moraineand bedrock-dammed lakes. The latter two dam types will continue to
impound growing amounts of meltwater, thereby accounting for most of the overall GLOF hazard potential, while ice-dammed lakes will shrink with deglaciation. As these lake types will evolve differently in the twenty-first century, we call for customized simulations of GLOF outflows and impacts, given the growing exposure of critical infrastructure
Comparative performance of DIC and optical flow algorithms for displacement and strain analysis in laser beam welding
No full textThe measurement of strain and displacement in the context of the welding process represents a significant challenge. Optical methods, such as digital image correlation (DIC) or optical flow algorithms, have demonstrated their efficacy in robust and reliable data acquisition in harsh environments, including those encountered in welding processes. Concurrently, a trade-off between the accuracy of the measurement and the computational resources required for the associated calculations must be evaluated on a case-by-case basis. The application of filters to initial images represents a technique that serves to enhance the quality and accuracy of the strain and displacement prediction. In the present study, the estimated error of two algorithms, namely the Lucas-Kanade (LK) and the inverse compositional Gauss-Newton (IC-GN), is compared on the basis of both synthetic and real welding images. The displacement field is evaluated for different zones in the laser weld seam with varying contrast performance. Based on the aforementioned results, a strain calculation was conducted for both methods, which yielded comparable results for the LK and IC-GN algorithms
Anwendung von repräsentativen Proben zur Bewertung der Strukturintegrität von sicherheitsrelevanten Komponenten
No full textSicherheitsrelevante Bauteile, bei denen ein Versagen im Betrieb katastrophale Folgen haben könnte, sind in der Regel für eine sehr geringe Ausfallwahrscheinlichkeit ausgelegt und unterliegen strengen Qualifizierungsverfahren gemäß den von den Aufsichtsbehörden festgelegten Richtlinien. Die Hersteller sind oft gezwungen, Tests an realen oder skalierten Komponenten durchzuführen, um die Strukturintegrität unter definierten Belastungsbedingungen sicherzustellen, die in der Regel strenger sind als die im Betrieb zu erwartenden. Dies ist in der Regel mit einem enormen experimentellen und finanziellen Aufwand verbunden. Daher versuchen die Unternehmen, neue Strategien wie digitale Zwillinge zu entwickeln, mit denen die Kosten massiv gesenkt werden können, ohne die Sicherheit zu beeinträchtigen. In dieser Arbeit wird ein neues quasistatisches Prüf- und Bewertungskonzept vorgestellt, dessen Hauptidee darin besteht, die experimentelle Prüfung von Bauteilen durch die Prüfung von für das Bauteil repräsentativen Proben zu ersetzen oder zumindest zu reduzieren. Der größte Vorteil des vorgeschlagenen Konzepts besteht darin, dass die Versuche auf Laborprüfmaschinen durchgeführt werden können. Die Wirksamkeit der Methodik wird anhand der Bewertung der Strukturintegrität einer Turbinenscheibe aus einer Ni-Basis-Superlegierung für Flugzeugtriebwerke bei Überdrehzahl demonstriert