TY - GEN A1 - Han, Ying A1 - Schriever, Sina A1 - von Hartrott, Philipp A1 - Rockenhäuser, Christian A1 - Skrotzki, Birgit T1 - Dataset on the Creep Properties of EN AW-2618A Aluminum Alloy in the T61 and an overaged condition N2 - This publication contains comprehensive metadata and test results of constant force creep tests according to DIN EN ISO 204 on the aluminum alloy EN AW-2618A in the T61 condition (8 h/530 °C/quenching in boiling water followed by 28 h/195 °C/air cooling) and in an overaged condition (T61 + 1.000 h/190 °C). The test temperatures cover 160 °C, 180 °C, 190 °C, and 230 °C, and the initial stresses range between 40 MPa and 290 MPa. KW - Creep KW - Aging KW - Overaging KW - Aluminum alloy KW - EN AW-2618A KW - High temperature PY - 2025 DO - https://doi.org/10.5281/zenodo.15744297 PB - Zenodo CY - Geneva AN - OPUS4-63572 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Beygi Nasrabadi, Hossein A1 - Bauer, Felix A1 - Tikana, Ladji A1 - Uhlemann, Patrick A1 - Thärig, Steffen A1 - Rehmer, Birgit A1 - Skrotzki, Birgit T1 - KupferDigital mechanical testing datasets N2 - The KupferDigital project aims to develop digital methods, tools, and data space infrastructures for digitalizing the entire life cycle of copper materials. The mechanical testing process is one of the main chains of such life cycles which generates lots of important testing data about the mechanical properties of the materials and their related materials and testing metadata. To train the digitalization of the mechanical testing process, different kinds of copper alloys were provided for this project, and their mechanical properties were measured by typical methods like Brinell and Vickers hardness and tensile testing. The primary raw testing data as well as the secondary datasets of these tests are provided. The detailed materials specifications, the utilized mechanical testing methods, and provided datasets are described in the content file. The test data files of heterogeneous structures are processed by the KupferDigital digital tools to be converted to standardized machine-readable data files. KW - Copper alloys KW - Dataset KW - Tensile testing KW - Mechanical testing KW - Hardness test PY - 2023 DO - https://doi.org/10.5281/zenodo.7670582 PB - Zenodo CY - Geneva AN - OPUS4-57038 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Beygi Nasrabadi, Hossein A1 - Skrotzki, Birgit A1 - Hanke, Thomas A1 - Eisenbart, Miriam T1 - Mechanical testing ontology (MTO) N2 - The materials mechanical testing ontology (MTO) was developed by collecting the mechanical testing vocabulary from ISO 23718 standard, as well as the standardized testing processes described for various mechanical testing of materials like tensile testing, Brinell hardness test, Vickers hardness test, stress relaxation test, and fatigue testing. Versions info: V2 developed using BFO+CCO top-level ontologies. V3 developed using PROVO+PMDco top-level ontologies. V4 developed using BFO+IOF top-level ontologies. Repositories: GitLab: https://gitlab.com/kupferdigital/ontologies/mechanical-testing-ontology GitHub: https://github.com/HosseinBeygiNasrabadi/Mechanical-Testing-Ontology MatPortal: https://matportal.org/ontologies/MTO IndustryPortal: https://industryportal.enit.fr/ontologies/MTO KW - Ontology KW - Mechanical testing KW - FAIR data PY - 2023 UR - https://gitlab.com/kupferdigital/ontologies/mechanical-testing-ontology/ PB - GitLab CY - San Francisco, CA, USA AN - OPUS4-58271 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Rehmer, Birgit A1 - Bayram, Faruk A1 - Ávila Calderón, Luis A1 - Mohr, Gunther A1 - Skrotzki, Birgit T1 - BAM reference data: Temperature-dependent Young's and shear modulus data for additively and conventionally manufactured variants of austenitic stainless steel AISI 316L N2 - The elastic properties (Young's modulus, shear modulus) of austenitic stainless steel AISI 316L were investigated between room temperature and 900 °C in an additively manufactured variant (laser powder bed fusion, PBF‑LB/M) and from a conventional process route (hot rolled sheet). The moduli were determined using the dynamic resonance method. The data set includes information on processing parameters, heat treatments, grain size, specimen dimensions and weight, Young’s and shear modulus as well as their measurement uncertainty. The dataset was generated in an accredited testing lab using calibrated measuring equipment. The calibrations meet the requirements of the test procedure and are metrologically traceable. The dataset was audited as BAM reference data. KW - Elastic modulus KW - Young's modulus KW - Shear modulus KW - Additive manufacturing KW - AISI 316L PY - 2023 DO - https://doi.org/10.5281/zenodo.7813835 PB - Zenodo CY - Geneva AN - OPUS4-57288 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - von Hartrott, Philipp A1 - Skrotzki, Birgit T1 - Room temperature and elevated temperature tensile test and elastic properties data of Al-alloy EN AW-2618A after different aging times and temperatures N2 - The dataset contains two types of data: elastic properties (Young's and shear modulus, Poisson's ratio) between room temperature and 250 °C and a set of tensile tests at different aging times, aging temperatures, and test temperatures. KW - Aluminium alloy KW - Young's modulus KW - Shear modulus KW - Aging KW - Tensile test KW - Strength PY - 2023 UR - https://doi.org/10.5281/zenodo.10377164 DO - https://doi.org/10.5281/zenodo.10377163 PB - Zenodo CY - Geneva AN - OPUS4-59161 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Beygi Nasrabadi, Hossein A1 - Skrotzki, Birgit T1 - Fatigue test ontology (FTO) N2 - Fatigue Test Ontology (FTO) has developed for representing the fatigue testing process, testing equipment requirements, test pieces charactristics, and related testing parameters and their measurement procedure according to DIN EN ISO 12106 standard. Versions info: V2 developed using PROVO+PMDco top-level ontologies. V3 developed using BFO+IOF top-level ontologies. Repositories: GitLab: https://gitlab.com/kupferdigital/process-graphs/lcf-test GitHub: https://github.com/HosseinBeygiNasrabadi/Fatigue-Test-Ontology-FTO- MatPortal: https://matportal.org/ontologies/FTO IndustryPortal: https://industryportal.enit.fr/ontologies/FTO KW - Ontology KW - Fatigue testing KW - FAIR data PY - 2024 UR - https://gitlab.com/kupferdigital/process-graphs/lcf-test UR - https://github.com/HosseinBeygiNasrabadi/Fatigue-Test-Ontology-FTO- UR - https://matportal.org/ontologies/FTO UR - https://industryportal.enit.fr/ontologies/FTO PB - GitLab CY - San Francisco, CA, USA AN - OPUS4-60547 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Skrotzki, Birgit T1 - Brinell-Hardness (HBW 2.5/62.5) of Al-alloy EN AW-2618A after different aging times and temperatures N2 - The dataset contains data from Brinell hardness measurements of Al-alloy EN AW-2618A after aging for different times and temperatures. Aging was either load free or with applied tensile load (creep). KW - Aluminium alloy KW - EN AW-2618A KW - Brinell hardness KW - Aging KW - Creep PY - 2022 UR - https://doi.org/10.5281/zenodo.6787085 UR - https://doi.org/10.5281/zenodo.10396823 DO - https://doi.org/10.5281/zenodo.6787084 PB - Zenodo CY - Geneva AN - OPUS4-55158 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Beygi Nasrabadi, Hossein A1 - Skrotzki, Birgit T1 - Vickers test ontology (VTO) N2 - Vickers Test Ontology (VTO) has developed for representing the Vickers testing process, testing equipment requirements, test pieces charactristics, and related testing parameters and their measurement procedure according to DIN EN ISO 6507-1 standard. Versions info: V2 developed using BFO+CCO top-level ontologies. Repositories: GitLab: https://gitlab.com/kupferdigital/process-graphs/vickers-hardness-test GitHub: https://github.com/HosseinBeygiNasrabadi/Vickers-Test-Ontology-VTO- MatPortal: https://matportal.org/ontologies/VTO IndustryPortal: https://industryportal.enit.fr/ontologies/VTO KW - Ontology KW - Knowledge graph KW - Data mapping KW - Vickers hardness KW - FAIR data. PY - 2024 UR - https://gitlab.com/kupferdigital/process-graphs/vickers-hardness-test UR - https://github.com/HosseinBeygiNasrabadi/Vickers-Test-Ontology-VTO- UR - https://matportal.org/ontologies/VTO UR - https://industryportal.enit.fr/ontologies/VTO PB - GitLab CY - San Francisco, CA, USA AN - OPUS4-60544 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Rosenbusch, Sjard Mathis A1 - Balzani, Daniel A1 - Unger, Jörg F. T1 - Regularization of softening plasticity models for explicit dynamics using a gradient-enhanced modified Johnson-Holmquist model N2 - The behavior of concrete under high strain rates is often described by plasticity models with softening, which is modeled by a reduction of the yield surface as a function of the local equivalent plastic strain. Among these are the RHT model, the K\&C model and the Johnson-Holmquist concrete model. These models are however local and therefore produce mesh-dependent results. In this contribution, the gradient-enhancement of such models is investigated. First, the mesh-dependency of these local formulations based on the analysis with a modified JH2 model as a representative for these constitutive formulations is demonstrated using a one-dimensional benchmark example. The central difference method is used as solver with a diagonal mass matrix obtained from a Gauß-Lobatto integration. In the benchmark, the width of the damaged zone decreases upon mesh-refinement and the dissipated plastic energy tends to zero. It is further shown that a significantly small safety factor for the critical time step is needed in order to achieve accurate results for the benchmark example. Next, two gradient-enhancement approaches are investigated. The enhancement is based on the inclusion of inertia and damping to the additional Helmholtz equation which enables the use of the central difference method as an explicit solver. In the first formulation, the yield surface and therefore the softening is formulated in terms of a nonlocal equivalent plastic strain. In the second approach, a hardening term which depends on the local equivalent plastic strain is introduced to the modified JH2 model in addition to the nonlocal softening. This approach is inspired by results from gradient plasticity in quasi-static loading scenarios. It is shown that the approach without hardening can still lead to mesh-dependent results while the model that includes hardening successfully inhibits strain localization and leads to a converging dissipated plastic energy. This is further confirmed in a two-dimensional wedge-splitting experiment where the damage pattern produced by the local model is mesh-dependent as well and the dissipated plastic energy tends to zero with mesh-refinement. The proposed nonlocal model with hardening results in a consistent damage pattern and the dissipated plastic energy converges. Furthermore, the nonlocal model with hardening is less sensitive to time step refinement, such that computational efficiency can be improved compared to the local model. The numerical experiments are implemented using the free and open-source tool FEniCSx. KW - Concrete modeling KW - Explicit Dynamics KW - FEniCS KW - Gradient plasticity KW - JH2 model KW - Mesh convergence PY - 2024 DO - https://doi.org/10.5281/zenodo.13983859 PB - Zenodo CY - Geneva AN - OPUS4-65083 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Müller, Simon T1 - FireSpread_MedEU N2 - Wildfires are becoming more frequent and severe under the influence of climate change, posing increasing risks to ecosystems, human health, and infrastructure. Accurate spatiotemporal data on wildfire propagation is essential for advancing fire behavior modeling, improving management strategies, and mitigating future impacts. However, existing datasets with both high spatial and temporal resolution are rare, costly, and time-consuming to produce. To address this gap, we present FireSpread_MedEU, a dataset comprising 313 consecutive burned area maps from 102 wildfire events across the Mediterranean and Europe between 2017 and 2023. Burned areas were derived from high-resolution Planet optical satellite imagery (~3 m spatial, mostly daily temporal resolution) using a semi-automated workflow, followed by manual refinement to ensure highest accuracy. Each dataset entry is enriched with detailed metadata and a subjective quality assessment. With its high level of spatiotemporal precision, FireSpread_MedEU provides essential data for the development and validation of machine learning models or wildfire simulation models. It opens new research opportunities in wildfire behavior analysis, risk assessment, and predictive modeling. KW - Wildfire KW - Spread KW - Machine Learning PY - 2025 DO - https://doi.org/10.5281/zenodo.16813435 PB - Zenodo CY - Geneva AN - OPUS4-64768 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Rosen, Andrew S. A1 - Gallant, Max A1 - George, Janine A1 - Riebesell, Janosh A1 - Sahasrabuddhe, Hrushikesh A1 - Shen, Jimmy-Xuan A1 - Wen, Mingjian A1 - Evans, Matthew L. A1 - Petretto, Guido A1 - Waroquiers, David A1 - Rignanese, Gian-Marco A1 - Persson, Kristin A. A1 - Jain, Anubhav A1 - Ganose, Alex M. T1 - Jobflow: Computational Workflows Made Simple N2 - Jobflow is a free, open-source library for writing and executing workflows. Complex workflows can be defined using simple python functions and executed locally or on arbitrary computing resources using the FireWorks workflow manager. Some features that distinguish jobflow are dynamic workflows, easy compositing and connecting of workflows, and the ability to store workflow outputs across multiple databases. KW - Automation KW - Workflows KW - Computational Materials Science PY - 2024 DO - https://doi.org/10.5281/zenodo.10466868 PB - Zenodo CY - Geneva AN - OPUS4-59313 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Ueltzen, Katharina A1 - Naik, Aakash A1 - Ertural, Christina A1 - Benner, Philipp A1 - George, Janine T1 - Software and data repository: Can simple exchange heuristics guide us in predicting magnetic properties of solids? N2 - Software and data for the publication "Can simple exchange heuristics guide us in predicting magnetic properties of solids?" Release that corresponds to the first preprint version of the article. Full Changelog: https://github.com/DigiMatChem/paper-exchange-heuristics-in-magnetic-materials/commits/v1.0.0 KW - Magnetism KW - Machine Learning KW - Materials Design KW - Chemically Complex Materials KW - Sustainable Materials Design PY - 2025 DO - https://doi.org/10.5281/zenodo.16811104 PB - Zenodo CY - Geneva AN - OPUS4-64672 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Smales, Glen Jacob A1 - Pauw, Brian Richard T1 - Technical Drawings for The MOUSE Modular Sample Holder N2 - OpenSCAD, STL and technical drawings for the Modular sample holder designed primarily for use with The MOUSE instruments. This modular sample holder can be used in conjunction with the following: - Capillary flow-cell for liquid samples (10.5281/zenodo.7499421) - Solid sample rack/plate (10.5281/zenodo.7499424) - Laser-cut sample holder (10.5281/zenodo.7499437) KW - X-ray scattering KW - SAXS KW - Sample holder KW - MOUSE PY - 2023 DO - https://doi.org/10.5281/zenodo.7499416 PB - Zenodo CY - Geneva AN - OPUS4-56775 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Schreiber, Frank T1 - Differential selection for survival and for growth in adaptive laboratory evolution experiments with benzalkonium chloride N2 - Biocides are used to control microorganisms across different applications, but emerging resistance may pose risks for those applications. Resistance to biocides has commonly been studied using adaptive laboratory evolution (ALE) experiments with growth at subinhibitory concentrations linked to serial subculturing. It has been shown recently that E. coli adapts to repeated lethal stress imposed by the biocide benzalkonium chloride (BAC) by increased survival (i.e. tolerance) and not by evolving the ability to grow at increased concentrations (i.e. resistance). Here, we investigate the contributions of evolution for tolerance as opposed to resistance for the outcome of ALE experiments with E. coli exposed to BAC. We find that BAC concentrations close to the half maximal effective concentration (EC50, 4.36 µg mL-1) show initial killing (~40%) before the population resumes growth. This indicates that cells face a two-fold selection pressure: for increased survival and for increased growth. To disentangle the effects of both selection pressures, we conducted two ALE experiments: (i) one with initial killing and continued stress close to the EC50 during growth and (ii) another with initial killing and no stress during growth. Phenotypic characterization of adapted populations showed that growth at higher BAC concentrations was only selected for when BAC was present during growth. Whole genome sequencing revealed distinct differences in mutated genes across treatments. Treatments selecting solely for survival led to mutations in genes for metabolic regulation (cyaA) and cellular structure (flagella fliJ), while treatments selecting for growth and survival led to mutations in genes related to stress response (hslO and tufA). Our results demonstrate that serial subculture ALE experiments with an antimicrobial at sub-inhibitory concentrations can select for increased growth and survival. This finding has implications for the design of ALE experiments to assess resistance risks of antimicrobials in different scenarios such as disinfection, preservation, and environmental pollution. KW - Antimicrobial resistance KW - Bacteria KW - Standardization KW - Biocides PY - 2024 UR - https://www.ncbi.nlm.nih.gov/bioproject/PRJNA1074740 PB - National Library of Biotechnology Information CY - Bethesda AN - OPUS4-61559 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Schreiber, Frank A1 - Kanaris, Orestis A1 - Nordholt, Niclas T1 - Consequences of benzalkonium chloride tolerance for selection dynamics and de novode novo resistance evolution driven by antibiotics N2 - Biocides are used in large amounts in industrial, medical, and domestic settings. Benzalkonium chloride (BAC) is a commonly used biocide, for which previous research revealed that Escherichia coli can rapidly adapt to tolerate BAC-disinfection, with consequences for antibiotic susceptibility. However, the consequences of BAC- tolerance for selection dynamics and resistance evolution to antibiotics remain unknown. Here, we investigated the effect of BAC -tolerance in E. coli on its response upon challenge with different antibiotics. Competition assays showed that subinhibitory concentrations of ciprofloxacin—but not ampicillin, colistin and gentamicin—select for the BAC-tolerant strain over the BAC-sensitive ancestor at a minimal selective concentration of 0.0013–0.0022 µg∙mL−1. In contrast, the BAC-sensitive ancestor was more likely to evolve resistance to ciprofloxacin, colistin and gentamicin than the BAC-tolerant strain when adapted to higher concentrations of antibiotics in a serial transfer laboratory evolution experiment. The observed difference in the evolvability of resistance to ciprofloxacin was partly explained by an epistatic interaction between the mutations conferring BAC -tolerance and a knockout mutation in ompF encoding for the outer membrane porin F. Taken together, these findings suggest that BAC -tolerance can be stabilized in environments containing low concentrations of ciprofloxacin, while it also constrains evolutionary pathways towards antibiotic resistance. KW - Antimicrobial surfaces KW - Biocides KW - Antimicrobial resistance KW - Antibiotics PY - 2025 UR - https://www.ncbi.nlm.nih.gov/bioproject/?term=PRJNA1282584 PB - National Library of Medicine CY - Bethesda AN - OPUS4-65221 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Chaurasia, Prashant Kumar A1 - Fabry, Çağtay A1 - Pittner, Andreas A1 - Rethmeier, Michael T1 - Tandem-GMAW: advanced pulsed and short cicuiting process mode experimental data N2 - This dataset consists of raw recordings for 5 Tandem gas metal arc welding experiments (Tandem-GMAW / T-GMAW). KW - T-GMAW KW - High power welding KW - Deposition efficiency KW - Life Cycle Assessment PY - 2025 DO - https://doi.org/10.5281/zenodo.17951724 PB - Zenodo CY - Geneva AN - OPUS4-65206 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Schreiber, Frank T1 - Differential selection for survival and for growth in adaptive laboratory evolution experiments with benzalkonium chloride N2 - Biocides are used to control microorganisms across different applications, but emerging resistance may pose risks for those applications. Resistance to biocides has commonly been studied using adaptive laboratory evolution (ALE) experiments with growth at subinhibitory concentrations linked to serial subculturing. It has been shown recently that E. coli adapts to repeated lethal stress imposed by the biocide benzalkonium chloride (BAC) by increased survival (i.e. tolerance) and not by evolving the ability to grow at increased concentrations (i.e. resistance). Here, we investigate the contributions of evolution for tolerance as opposed to resistance for the outcome of ALE experiments with E. coli exposed to BAC. We find that BAC concentrations close to the half maximal effective concentration (EC50, 4.36 µg mL-1) show initial killing (~40%) before the population resumes growth. This indicates that cells face a two-fold selection pressure: for increased survival and for increased growth. To disentangle the effects of both selection pressures, we conducted two ALE experiments: (i) one with initial killing and continued stress close to the EC50 during growth and (ii) another with initial killing and no stress during growth. Phenotypic characterization of adapted populations showed that growth at higher BAC concentrations was only selected for when BAC was present during growth. Whole genome sequencing revealed distinct differences in mutated genes across treatments. Treatments selecting solely for survival led to mutations in genes for metabolic regulation (cyaA) and cellular structure (flagella fliJ), while treatments selecting for growth and survival led to mutations in genes related to stress response (hslO and tufA). Our results demonstrate that serial subculture ALE experiments with an antimicrobial at sub-inhibitory concentrations can select for increased growth and survival. This finding has implications for the design of ALE experiments to assess resistance risks of antimicrobials in different scenarios such as disinfection, preservation, and environmental pollution. KW - Antimicrobial resistance KW - Bacteria KW - Standardization KW - Biocides PY - 2024 DO - https://doi.org/10.5061/dryad.2jm63xszx PB - Dryad AN - OPUS4-61558 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Jafari, Abbas T1 - A python library for finite element (FE) modelling of static/quasi-static structural mechanics problems with legacy FEniCS N2 - This is a python library for finite element (FE) modelling of static/quasi-static structural mechanics problems with legacy FEniCS, which contains the following main modules. Module structure: for defining a structural mechanics experiment, including geometry, mesh, boundary conditions (BCs), and time-varying loadings. The time is quasi-static, i.e. no dynamic (inertia) effects will be accounted for in the problem module as follows. Module material: for handling constitutive laws such as elasticity, gradient damage, plasticity, etc. Module problem: for establishing structural mechanics problems for desired structures and material laws coming from the two above modules, and solving the problems built up. These can be performed for two main cases: static (no time-evolution) that also includes homogenization, and quasi-static (QS). KW - Finite element (FE) KW - Static/quasi-static structural mechanics KW - FEniCS PY - 2025 DO - https://doi.org/10.5281/zenodo.17805724 PB - Zenodo CY - Geneva AN - OPUS4-65269 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Jafari, Abbas A1 - Titscher, Thomas A1 - Robens-Radermacher, Annika T1 - Bayem: Implementation and derivation of “variational Bayesian inference for a nonlinear forward model [Chappell et al 2008]“ for arbitrary, user-defined model errors N2 - A python implementation of an analytical variational Bayes algorithm of "Variational Bayesian inference for a nonlinear forward model", Chappell, Michael A., Adrian R. Groves, Brandon Whitcher, and Mark W. Woolrich, IEEE Transactions on Signal Processing 57, no. 1 (2008): 223-236, with an updated free energy equation to correctly capture the log evidence. The algorithm requires a user-defined model error allowing an arbitrary combination of custom forward models and measured data. KW - Implementation KW - Variational Bayesian inference KW - Nonlinear forward model PY - 2025 DO - https://doi.org/10.5281/zenodo.17804665 PB - Zenodo CY - Geneva AN - OPUS4-65268 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Knigge, Xenia A1 - Radnik, Jörg T1 - Physico-chemical characterization of sterilized TiO2 D540 nanoparticles by XPS / HAXPES / SEM N2 - Here a dataset of XPS, HAXPES and SEM measurements for the physico-chemical characterization of sterilized TiO2 D540 nanoparticles is presented. The measurements are part of the H2020 project “NanoSolveIT”. KW - XPS KW - HAXPES KW - SEM KW - NanoSolveIT KW - TiO2 D540 nanoparticles PY - 2023 DO - https://doi.org/10.5281/zenodo.7961317 PB - Zenodo CY - Geneva AN - OPUS4-57669 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Knigge, Xenia A1 - Radnik, Jörg T1 - Physico-chemical characterization of sterilized ZnO nanoparticles by XPS / HAXPES / SEM N2 - Here a dataset of XPS, HAXPES and SEM measurements for the physico-chemical characterization of sterilized ZnO nanoparticles is presented. The measurements are part of the H2020 project “NanoSolveIT”. KW - XPS KW - HAXPES KW - SEM KW - ZnO nanoparticles KW - NanoSolveIT PY - 2023 DO - https://doi.org/10.5281/zenodo.7990301 PB - Zenodo CY - Geneva AN - OPUS4-57661 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Knigge, Xenia A1 - Radnik, Jörg T1 - Physico-chemical characterization of sterilized CeO2 nanoparticles by XPS / HAXPES / SEM N2 - Here a dataset of XPS, HAXPES and SEM measurements for the physico-chemical characterization of sterilized CeO2 nanoparticles is presented. The measurements are part of the H2020 project “NanoSolveIT”. KW - XPS KW - HAXPES KW - SEM KW - NanoSolveIT KW - CeO2 nanoparticles PY - 2023 DO - https://doi.org/10.5281/zenodo.7941461 PB - Zenodo CY - Geneva AN - OPUS4-57667 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Knigge, Xenia A1 - Radnik, Jörg T1 - Physico-chemical characterization of sterilized Co2.25Fe0.75O4 nanoparticles by XPS / HAXPES / SEM N2 - Here a dataset of XPS, HAXPES and SEM measurements for the physico-chemical characterization of sterilized Co2.25Fe0.75O4 nanoparticles is presented. The measurements are part of the H2020 project “NanoSolveIT”. KW - XPS KW - HAXPES KW - SEM KW - NanoSolveIT KW - Co2.25Fe0.75O4 nanoparticles PY - 2023 DO - https://doi.org/10.5281/zenodo.7940538 PB - Zenodo CY - Geneva AN - OPUS4-57663 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Knigge, Xenia A1 - Radnik, Jörg T1 - Physico-chemical characterization of sterilized Fe2O3 nanoparticles by XPS / HAXPES / SEM N2 - Here a dataset of XPS, HAXPES and SEM measurements for the physico-chemical characterization of sterilized Fe2O3 nanoparticles is presented. The measurements are part of the H2020 project “NanoSolveIT”. KW - XPS KW - HAXPES KW - SEM KW - NanoSolveIT KW - Fe2O3 nanoparticles PY - 2023 DO - https://doi.org/10.5281/zenodo.7941001 PB - Zenodo CY - Geneva AN - OPUS4-57665 LA - deu AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Döring, Sarah T1 - Sequence of Mus Musculus monoclonal IgG2c anti-CCMV Immunoglobulin N2 - We report the full-length nucleotide and amino acid sequences of the light (κ) and heavy chain of the IgG2c anti-CCMV monoclonal antibody (hybridoma clone BAM-CCMV-29-81), generated against Cowpea Chlorotic Mottle Virus (CCMV). Sequencing of hybridoma clone was performed using a cost-effective Sanger-based workflow that includes DNA-level subclass determination and peptide mass fingerprint confirmation. The κ-chain sequence was assigned to IGKV4-6101 / IGKJ101, while the heavy chain was assigned to IGHV2-601 / IGHD1-101 / IGHJ3*01 with IgG2c constant regions from the NOD strain. Both chains were validated against RNA Illumina sequencing, confirming 100% identity. The sequences are available in GenBank under accession numbers PX123807 (κ-chain) and PX123808 (heavy chain). KW - Antibody Sequencing KW - BAM-CCMV-29-81 KW - anti-CCMV-antibody PY - 2025 UR - https://www.ncbi.nlm.nih.gov/nuccore/PX123807 UR - https://www.ncbi.nlm.nih.gov/nuccore/PX123808 PB - National Library of Medicine CY - Bethesda AN - OPUS4-63968 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Prinz, Carsten A1 - Zimathies, Annett A1 - Emmerling, Franziska T1 - Experimental raw data sets associated with certified reference material BAM-P114 (titanium dioxide) for comparison of nitrogen and argon sorption, available in the universal adsorption information format (AIF) N2 - These data sets serve as models for calculating the specific surface area (BET method) using gas sorption in accordance with ISO 9277. The present measurements were carried out with nitrogen at 77 Kelvin and argon at 87 Kelvin. It is recommended to use the following requirements for the molecular cross-sectional area: Nitrogen: 0.1620 nm² Argon: 0.1420 nm² Expected specific surface area for nitrogen (BET): 24 to 25 m²/g Expected specific surface area for argon (BET): 20 m²/g Titanium dioxides certified with nitrogen sorption and additionally measured with argon for research purposes were used as sample material. The resulting data sets are intended to serve as comparative data for own measurements and show the differences in sorption behaviour and evaluations between nitrogen and argon. These data are stored in the universal AIF format (adsorption information format), which allows flexible use of the data. KW - Physisorption KW - Specific surface area KW - AIF KW - Argon KW - Nitrogen PY - 2024 DO - https://doi.org/10.5281/zenodo.13283291 PB - Zenodo CY - Geneva AN - OPUS4-60782 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Smales, Glen Jacob A1 - Pauw, Brian Richard T1 - DACHS/MOFs/AutoMOFs_3/Synthesis N2 - The DACHS (Database for Automation, Characterization and Holistic Synthesis) project aims to create completely traceable experimental data, covering syntheses, measurements, analyses, and interpretations. DACHS_MOFs focuses on the synthesis and characterisation of metal-organic frameworks, across multiple, automation-assisted experimental series (AutoMOFs), with the overall goal of producing reproducible MOF samples through tracking of the synthesis parameters. DACHS_MOFs is simultaneously used to test the DACHS principles. This upload contain synthesis data from AutoMOFs_3 in HDF5 format (.h5). Each .h5 file contains detailed information on the chemical, experimenal, and synthesis parameters used during the synthesis of a single AutoMOF sample. KW - Synthesis KW - Automation KW - Traceability KW - Procedure PY - 2024 DO - https://doi.org/10.5281/zenodo.11237815 PB - Zenodo CY - Geneva AN - OPUS4-60633 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Kohlbrecher, J. A1 - Breßler, Ingo T1 - SASfit 0.94.12 N2 - Small-angle scattering is an increasingly common method for characterizing particle ensembles in a wide variety of sample types and for diverse areas of application. SASfit has been one of the most comprehensive and flexible curve-fitting programs for decades, with many specialized tools for various fields. KW - Small-angle scattering KW - SAXS KW - SANS KW - Scattering pattern analysis PY - 2023 UR - https://doi.org/10.5281/zenodo.7530357 DO - https://doi.org/10.5281/zenodo.7530356 PB - Zenodo CY - Geneva AN - OPUS4-57913 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Prinz, Carsten A1 - Zimathies, Annett A1 - Emmerling, Franziska T1 - Experimental raw data sets associated with certified reference material BAM-P115 (titanium dioxide) for comparison of nitrogen and argon sorption, available in the universal adsorption information format (AIF) N2 - These data sets serve as models for calculating the specific surface area (BET method) using gas sorption in accordance with ISO 9277. The present measurements were carried out with nitrogen at 77 Kelvin and argon at 87 Kelvin. It is recommended to use the following requirements for the molecular cross-sectional area: Nitrogen: 0.1620 nm² Argon: 0.1420 nm² Expected specific surface area for nitrogen (BET): 140 to 154 m²/g Expected specific surface area for argon (BET): 129 to 135 m²/g Titanium dioxides certified with nitrogen sorption and additionally measured with argon for research purposes were used as sample material. The resulting data sets are intended to serve as comparative data for own measurements and show the differences in sorption behaviour and evaluations between nitrogen and argon. These data are stored in the universal AIF format (adsorption information format), which allows flexible use of the data. KW - Physisorption KW - Specific surface area KW - AIF KW - Argon KW - Nitrogen PY - 2024 DO - https://doi.org/10.5281/zenodo.13269756 PB - Zenodo CY - Geneva AN - OPUS4-60783 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Wolf, Jako A1 - Stawski, Tomasz A1 - Smales, Glen Jacob A1 - Thünemann, Andreas A1 - Emmerling, Franziska T1 - SI Files for "Towards automation of the polyol process for the synthesis of silver nanoparticles" N2 - The graphml file: reaction_graph_AgNP.graphml is included. It contains topological information (Fig. 1 in the main text) about the reaction setup and metadata with reaction condtions. It used by the Python API used to control the Chemputer. SAXS reports. The complete report sheets generated by McSAS are included. They contain extended information characterising the size distributions and the fitting parameters. NP3_I: saxs_report_NP3_I.pdf NP3_II: saxs_report_NP3_II.pdf NP3_III: saxs_report_NP3_III.pdf NP3_IV: saxs_report_NP3_IV.pdf NP5_I: saxs_report_NP5_I.pdf NP5_II: saxs_report_NP5_II.pdf NP5_III: saxs_report_NP5_III.pdf KW - Automated synthesis KW - Silver KW - Nanoparticles PY - 2022 DO - https://doi.org/10.5281/zenodo.5910614 PB - Zenodo CY - Geneva AN - OPUS4-55197 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Smales, Glen Jacob A1 - Pauw, Brian Richard T1 - DACHS/MOFs/AutoMOFs_5/Synthesis N2 - The DACHS (Database for Automation, Characterization and Holistic Synthesis) project aims to create completely traceable experimental data, covering syntheses, measurements, analyses, and interpretations. DACHS_MOFs focuses on the synthesis and characterisation of metal-organic frameworks, across multiple, automation-assisted experimental series (AutoMOFs), with the overall goal of producing reproducible MOF samples through tracking of the synthesis parameters. DACHS_MOFs is simultaneously used to test the DACHS principles. This upload contain synthesis data from AutoMOFs_5 in HDF5 format (.h5). Each .h5 file contains detailed information on the chemical, experimenal, and synthesis parameters used during the synthesis of a single AutoMOF sample. KW - Automation KW - Procedure KW - Synthesis KW - Traceability PY - 2024 DO - https://doi.org/10.5281/zenodo.11237987 PB - Zenodo CY - Geneva AN - OPUS4-61344 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Pauw, Brian Richard A1 - Smales, Glen Jacob A1 - Moeez, A. A1 - Hörmann, Anja A1 - Breßler, Ingo T1 - Example configurations and test cases for the Python HDF5Translator framework. N2 - This is a set of use examples for the HDF5Translator framework. This framework lets you translate measurement files into a different (e.g. NeXus-compatible) structure, with some optional checks and conversions on the way. For an in-depth look at what it does, there is a blog post here. The use examples provided herein are each accompanied by the measurement data necessary to test and replicate the conversion. The README.md files in each example show the steps necessary to do the conversion for each. We encourage those who have used or adapted one or more of these exampes to create their own conversion, to get in touch with us so we may add your example to the set. KW - Measurement data conversion KW - Data conversion KW - HDF5 KW - NeXus KW - NXsas KW - Framework KW - Python PY - 2024 DO - https://doi.org/10.5281/zenodo.10925971 PB - Zenodo CY - Geneva AN - OPUS4-59796 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Prinz, Carsten A1 - Zimathies, Annett A1 - Emmerling, Franziska T1 - Experimantal raw data sets associated with certified reference material BAM-P116 (titanium dioxide) for comparison of nitrogen and argon sorption, available in the universal adsorption information format (AIF) N2 - These data sets serve as models for calculating the specific surface area (BET method) using gas sorption in accordance with ISO 9277. The present measurements were carried out with nitrogen at 77 Kelvin and argon at 87 Kelvin. It is recommended to use the following requirements for the molecular cross-sectional area: Nitrogen: 0.1620 nm² Argon: 0.1420 nm² Titanium dioxides certified with nitrogen sorption and additionally measured with argon for research purposes were used as sample material. The resulting data sets are intended to serve as comparative data for own measurements and show the differences in sorption behaviour and evaluations between nitrogen and argon. These data are stored in the universal AIF format (adsorption information file), which allows flexible use of the data. KW - Physisorption KW - Surface area KW - AIF KW - Argon KW - Nitrogen PY - 2023 DO - https://doi.org/10.5281/zenodo.10199628 PB - Zenodo CY - Geneva AN - OPUS4-59102 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Stawski, Tomasz A1 - Smales, Glen Jacob A1 - Scoppola, E. A1 - Jha, D. A1 - Morales, L. F. G. A1 - Moya, A. A1 - Wirth, R. A1 - Pauw, Brian Richard A1 - Emmerling, Franziska A1 - Van Driessche, A. E. S. T1 - Supplementary data set for "Seeds of imperfection rule the mesocrystalline disorder in natural anhydrite single crystals" N2 - In recent years, we have come to appreciate the astounding intricacy of the formation process of minerals from ions in aqueous solutions. In this context, a number of studies have revealed that nucleation in the calcium sulfate system is non-classical, involving the aggregation and reorganization of nanosized prenucleation particles. In a recent work we have shown that this particle-mediated nucleation pathway is actually imprinted in the resultant single micron-sized CaSO4 crystals. This property of CaSO4 minerals provides us with an unique opportunity to search for evidence of non-classical nucleation pathways in geological environments. In particular, we focused on the quintessential single crystals of anhydrite extracted from the Naica mine in Mexico. We elucidated the growth history from this mineral sample by mapping growth defects at different length scales. Based on these data we argue that the nano-scale misalignment of the structural sub-units observed in the initial calcium sulfate crystal seed propagate through different length-scales both in morphological, as well as strictly crystallographic aspects, eventually causing the formation of large mesostructured single crystals of anhydrite. Hence, the nanoparticle mediated nucleation mechanism introduces a 'seed of imperfection', which leads to a macroscopic single crystal, in which its fragments do not fit together at different length-scales in a self-similar manner. Consequently, anisotropic voids of various sizes are formed with very well-defined walls/edges. But, at the same time the material retains its essential single crystal nature. These findings shed new light on the longstanding concept of crystal structure. KW - Calcium sulfate KW - Mesocrystal KW - Anhydrite PY - 2021 DO - https://doi.org/10.5281/zenodo.4943234 PB - Zenodo CY - Geneva AN - OPUS4-53765 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Averin, Anton A1 - Hirsch, Philipp Daniel A1 - Lecompagnon, Julien T1 - Thermographic Reference Dataset: Defect Detection in Nuclear Waste Barrel Cutouts Using Long Pulse Thermography N2 - We introduce a thermographic dataset for subsurface defect detection in radioactive waste storage drums, comprising thermal sequences from 7 barrel specimens with artificially manufactured internal defects. The dataset was acquired using cost-effective halogen-lamp excitation (2kW per lamp) as an alternative to laser-based systems, with dual-camera thermal imaging (CMOS and bolometric) to enable performance comparison across imaging modalities. The specimens include both new and aged barrel types with controlled defects — FBHs, lines, crosses, triangles, and rectangles — simulating internal corrosion at varying scales (4mm to 60mm). Three heating regimes (both lamps, left only, right only) were systematically applied across multiple measurement regions per sample, yielding normalized thermal sequences. To lower the barrier for machine learning practitioners without thermography expertise, the dataset provides pre-computed features derived from principal component analysis, pulse phase thermography, and independent component analysis extracted using experimentally optimized time windows. Ground-truth binary masks mapping defect locations are included to enable supervised learning. This resource is designed to support the development and benchmarking of automated defect detection algorithms for non-destructive testing of curved, thin-walled metallic structures under realistic surface conditions (paint inhomogeneity, dirt, geometric artifacts), while validating low-cost thermographic inspection alternatives for industrial deployment. KW - Nondestructive Testing KW - Corrosion detection KW - Waste storage KW - Thermography KW - Safety PY - 2026 DO - https://doi.org/10.5281/zenodo.18916290 PB - Zenodo CY - Geneva AN - OPUS4-65666 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Smales, Glen Jacob A1 - Pauw, Brian Richard T1 - DACHS/MOFs/AutoMOFs_4/Synthesis N2 - The DACHS (Database for Automation, Characterization and Holistic Synthesis) project aims to create completely traceable experimental data, covering syntheses, measurements, analyses, and interpretations. DACHS_MOFs focuses on the synthesis and characterisation of metal-organic frameworks, across multiple, automation-assisted experimental series (AutoMOFs), with the overall goal of producing reproducible MOF samples through tracking of the synthesis parameters. DACHS_MOFs is simultaneously used to test the DACHS principles. This upload contain synthesis data from AutoMOFs_4 in HDF5 format (.h5). Each .h5 file contains detailed information on the chemical, experimenal, and synthesis parameters used during the synthesis of a single AutoMOF sample. KW - Automation KW - Procedure KW - Synthesis KW - Traceability PY - 2024 DO - https://doi.org/10.5281/zenodo.11237899 PB - Zenodo CY - Geneva AN - OPUS4-61343 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Smales, Glen Jacob A1 - Pauw, Brian Richard T1 - DACHS/MOFs/AutoMOFs_1/Synthesis N2 - The DACHS (Database for Automation, Characterization and Holistic Synthesis) project aims to create completely traceable experimental data, covering syntheses, measurements, analyses, and interpretations. DACHS_MOFs focuses on the synthesis and characterisation of metal-organic frameworks, across multiple, automation-assisted experimental series (AutoMOFs), with the overall goal of producing reproducible MOF samples through tracking of the synthesis parameters. DACHS_MOFs is simultaneously used to test the DACHS principles. This upload contain synthesis data from AutoMOFs_1 in HDF5 format (.h5). Each .h5 file contains detailed information on the chemical, experimenal, and synthesis parameters used during the synthesis of a single AutoMOF sample. KW - Synthesis KW - Automation KW - Traceability KW - Procedure PY - 2024 DO - https://doi.org/10.5281/zenodo.11236031 PB - Zenodo CY - Geneva AN - OPUS4-60243 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Pauw, Brian Richard A1 - Smales, Glen Jacob A1 - Hörmann, Anja A1 - Moeez, Abdul A1 - Breßler, Ingo T1 - BAMresearch/HDF5Translator: A Framework for translating and transforming data between HDF5 files N2 - HDF5Translator is a Python framework for translating and transforming data between HDF5 files. It supports operations like unit conversion, dimensionality adjustments, and subtree copying, making it suitable for managing and manipulating a wide range of scientific datasets. KW - Measurement data conversion KW - Data conversion KW - HDF5 KW - NeXus KW - NXsas KW - Framework KW - Python KW - Methodology PY - 2024 DO - https://doi.org/10.5281/zenodo.10927639 PB - Zenodo CY - Geneva AN - OPUS4-59797 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Pauw, Brian Richard A1 - Laskina, Sofya A1 - Naik, Aakash A1 - Smales, Glen Jacob A1 - George, Janine A1 - Breßler, Ingo A1 - Benner, Philipp T1 - Jupyter notebook and VASP calculation details accompanying the manuscript: "Ultima Ratio: Simulating wide-range X-ray scattering and diffraction" N2 - Summary: This notebook and associated datasets (including VASP details) accompany a manuscript available on the ArXiv (https://doi.org/10.48550/arXiv.2303.13435) and hopefully soon in a journal as short communication as well. Most of the details needed to understand this notebook are explained in that paper with the same title as above. For convenience, the abstract is repeated here: Paper abstract: 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 presented coupled to 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 $Q<0.01$\,$\mathrm{nm}^{-1}$ up to $Q\approx150$\,$\mathrm{nm}^{-1}$, with a resolution of 0.16\,\AA. 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. KW - X-ray KW - Simulation KW - Scattering KW - MOUSE KW - Nanomaterials KW - XRD KW - SAXS KW - PDF KW - Total scattering KW - 3D Fourier transform KW - High resolution KW - FFT PY - 2023 DO - https://doi.org/10.5281/zenodo.7764044 PB - Zenodo CY - Geneva AN - OPUS4-57207 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Miliūtė, Aistė T1 - Synthesis and phase purity of the negative thermal expansion material ZrV2O7 N2 - This repository contains computational and experimental data for the manuscript titled “Synthesis and phase purity of the negative thermal expansion material ZrV2O7”. KW - NTE KW - Sol-gel KW - Solid-state KW - Ab-initio KW - XRD KW - Raman PY - 2024 DO - https://doi.org/10.5281/zenodo.12688634 PB - Zenodo CY - Geneva AN - OPUS4-61360 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Smales, Glen Jacob A1 - Pauw, Brian Richard T1 - DACHS/MOFs/AutoMOFs_2/Synthesis N2 - The DACHS (Database for Automation, Characterization and Holistic Synthesis) project aims to create completely traceable experimental data, covering syntheses, measurements, analyses, and interpretations. DACHS_MOFs focuses on the synthesis and characterisation of metal-organic frameworks, across multiple, automation-assisted experimental series (AutoMOFs), with the overall goal of producing reproducible MOF samples through tracking of the synthesis parameters. DACHS_MOFs is simultaneously used to test the DACHS principles. This upload contain synthesis data from AutoMOFs_2 in HDF5 format (.h5). Each .h5 file contains detailed information on the chemical, experimenal, and synthesis parameters used during the synthesis of a single AutoMOF sample. KW - Automation KW - Procedure KW - Synthesis KW - Traceability PY - 2024 DO - https://doi.org/10.5281/zenodo.11236074 PB - Zenodo CY - Geneva AN - OPUS4-60611 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER - TY - GEN A1 - Bayat, Mehmet Emin A1 - Nandayapa, Edgar R. A1 - Tiebe, Carlo A1 - Unger, Eva L. A1 - List-Kratochvil, Emil J. W. T1 - Raw data from: "An operando spectroscopic examination of the influence of trace humidity on interdigital back contact metal halide perovskite solar cells" N2 - Controlling trace humidity is vital for both the fabrication and long-term stability of metal halide perovskite (MHP) solar cells. Relevant humidity levels are typically below 10 ppmV, especially in glovebox-based processing and in well-encapsulated devices. Even minute amounts during fabrication can influence crystallization, introducing defects and lowering efficiency. Over time, humidity accelerates degradation of the perovskite layer and internal interfaces, ultimately reducing operational lifetime. Probing these effects at low concentrations under operando conditions is therefore essential for advancing device performance and durability. In this work, we employed a high-precision transfer standard dew point hygrometer to investigate humidity levels between 5 and 35 ppmV in non-encapsulated MHP solar cells. To permit unobstructed water migration during operation, we fabricated interdigital back contact devices. Operando measurements revealed water transport through the perovskite layer and enabled quantification of outgassing. Under trace-humidified conditions, devices exhibited initial charge-carrier quenching, followed by gradual recovery. Notably, the photocurrent response to humidified nitrogen demonstrated that the MHP layer behaves fully reversibly within the explored timescale and across the investigated humidity levels and conditions. These findings establish a systematic operando framework for examining extrinsic stressors in perovskites and highlight opportunities for assessing passivation strategies. KW - Metal halide perovskite PY - 2026 DO - https://doi.org/10.5281/zenodo.18600851 PB - Zenodo CY - Geneva AN - OPUS4-65757 LA - eng AD - Bundesanstalt fuer Materialforschung und -pruefung (BAM), Berlin, Germany ER -