Filtern
Erscheinungsjahr
Dokumenttyp
- Vortrag (51)
- Forschungsdatensatz (26)
- Posterpräsentation (6)
- Video (5)
- Zeitschriftenartikel (4)
- Sonstiges (4)
- Beitrag zu einem Tagungsband (2)
- Forschungsbericht (1)
Referierte Publikation
- nein (99) (entfernen)
Schlagworte
- X-ray scattering (43)
- SAXS (29)
- MOUSE (28)
- Small angle scattering (11)
- Methodology (10)
- Small-angle scattering (8)
- Data analysis (7)
- Nanomaterials (7)
- Software (7)
- Automation (6)
- Instrumentation (6)
- Lab automation (6)
- Analysis (5)
- Introduction (5)
- Nanostructure (5)
- Sample holder (5)
- Scattering (5)
- Simulation (5)
- XRD (5)
- Data stewardship (4)
- X-ray (4)
- Additive Manufacturing (3)
- Additive manufacturing (3)
- Data organization (3)
- Fourier transforms (3)
- Image manipulation (3)
- Laboratory management (3)
- Nanomaterial (3)
- PDF (3)
- Python (3)
- Round Robin (3)
- Round robin (3)
- Scicat (3)
- Scientific misconduct (3)
- Two-photon polymerization (3)
- WAXS (3)
- 3D Fourier Transform (2)
- Automated synthesis (2)
- Data conversion (2)
- Data corrections (2)
- Data management (2)
- Data manipulation (2)
- FFT (2)
- Fourier Transform (2)
- Framework (2)
- HDF5 (2)
- High resolution (2)
- Holistic experimental procedures (2)
- Holistic science (2)
- Interlaboratory comparison (2)
- Measurement data conversion (2)
- Metal organic framework (2)
- Metrology (2)
- Monte Carlo (2)
- NXsas (2)
- Nanocharacterisation (2)
- Nanocomposite (2)
- Nanoparticles (2)
- Nanostructure investigation (2)
- Nanostructure quantification (2)
- NeXus (2)
- Neutron (2)
- Neutron scattering (2)
- Paper mills (2)
- Particle size distribution (2)
- Robotics (2)
- SANS (2)
- Saxs (2)
- Scattering pattern analysis (2)
- Scientific method (2)
- Scientific rigor (2)
- Small-angle X-ray scattering (2)
- Transparent ceramics (2)
- USAXS (2)
- X-ray diffraction (2)
- 2PP (1)
- 3D (1)
- 3D FFT (1)
- 3D printing (1)
- 3D-printing (1)
- 3d structuring (1)
- 60-230V (1)
- AFM (1)
- ATZ (1)
- Academic fraud (1)
- Academic metrics (1)
- Advanced ceramics (1)
- Alkyls (1)
- Alumina toughened zirconia (1)
- Analyses (1)
- Analysis approach (1)
- Anhydrite (1)
- Application (1)
- Arbitrary shapes (1)
- Automated analysis (1)
- Automated data tagging (1)
- BAM Academy (1)
- Bad science (1)
- Biofilm (1)
- Boehmite (1)
- Bonse Hart (1)
- Calcium sulfate (1)
- Calibration structure (1)
- Catalysis (1)
- Causes leading to scientific misconduct (1)
- Ceramic microprinting (1)
- Ceramic nano particles (1)
- Channel access (1)
- Columnar ionic liquid crystals (1)
- Command line (1)
- Command-line interface (1)
- Conference (1)
- Correlative analysis (1)
- Data (1)
- Data analysis round robin (1)
- Data catalog (1)
- Data correction (1)
- Data curation (1)
- Data fitting (1)
- Data interpretation (1)
- Data mining (1)
- Data pipelines (1)
- Data processing (1)
- Data provenance (1)
- Data stewartship (1)
- Data tagging (1)
- Databases (1)
- Dataset merging (1)
- Datasets (1)
- Demonstration (1)
- Digital laboratory (1)
- Digitalization (1)
- Direct Laser Writing (1)
- EPICS (1)
- EU (1)
- Electric Safety Interlock (1)
- Electron density map (1)
- FAIR (1)
- Faked research (1)
- Flow-through (1)
- Gas sorption (1)
- Graphitization (1)
- Graphs (1)
- Guideline (1)
- Heated (1)
- High Resolution (1)
- High-resolution (1)
- High-throughput (1)
- High-throughput measurements (1)
- History (1)
- Holistic experiment approaches (1)
- Human factor (1)
- Human influence (1)
- Image averaging (1)
- Images (1)
- Instrument automation (1)
- Instrument control (1)
- Instrumentation utilization (1)
- Intercomparability (1)
- Iron nanoparticles (1)
- Laboratory (1)
- Laboratory automation (1)
- Laboratory methodology (1)
- Laboratory organization (1)
- Large number of participants (1)
- Laser writing (1)
- Liquid crystals (1)
- MAUS (1)
- MOF (1)
- MPI (1)
- MPLS (1)
- Machine learning (1)
- Magnetic nano-particles (1)
- Magnetic swimmers (1)
- Materials science (1)
- McSAS (1)
- McSAS3 (1)
- Measurement data (1)
- Measurement methodology (1)
- Measurement organization (1)
- Measurement science (1)
- Mechanical testing (1)
- Membrane polymers (1)
- Mesocrystal (1)
- Metadata (1)
- Metadata collection (1)
- Metadata structuring (1)
- Metal organic frameworks (1)
- Metal-organic frameworks (1)
- Metrics (1)
- Metrics-driven science (1)
- Microporous polymers (1)
- Microprinting (1)
- Monte carlo (1)
- Motor controller (1)
- Multi photon lithography (1)
- Multi-photon light structuring (1)
- Multi-scale (1)
- Multi-scale measurements (1)
- Multiphoton laser structuring (1)
- NFDI (1)
- Nano-ceramic-additive-manufacturing photoresin (1)
- Nano-particles alignment (1)
- NanoCAM (1)
- Nanoscience (1)
- Neutron diffraction (1)
- OECD (1)
- Open access (1)
- Open data (1)
- Open science (1)
- Pair distribution function (1)
- Photon counting detectors (1)
- Pitfalls (1)
- Polydispersity (1)
- Polymer nanocomposite (1)
- Polymer nanocomposites (1)
- Polymers (1)
- Porous carbons (1)
- Practical aspects (1)
- Practical examples (1)
- Publication pressure (1)
- Quality (1)
- Quality infrastructure (1)
- REACH (1)
- Reference structure (1)
- Reliability (1)
- Reproducibility (1)
- Reproducibility crisis (1)
- Research Data Management (1)
- Research fraud (1)
- Robotic synthesis (1)
- Robotic-supported synthesis (1)
- RunDeck (1)
- SAXS/WAXS (1)
- SEM (1)
- STL file input (1)
- Sall-angle scattering (1)
- Sample cell (1)
- Scattering pattern (1)
- Scattering pattern simulation (1)
- SchwarzP cells (1)
- Scientific communication (1)
- Scientific fraud (1)
- Scientific rigour (1)
- Silver nanoparticle (1)
- Silver nanoparticles (1)
- Size distribution (1)
- Slurry (1)
- Small-angle Scattering (1)
- Standardisation (1)
- Starch (1)
- Starch nanoparticle (1)
- Synthesis (1)
- Synthesis library (1)
- Systems architecture (1)
- TEM (1)
- TSEM (1)
- Test artifact (1)
- Test structure (1)
- Theory (1)
- Tools to combat scientific misconduct (1)
- Total scattering (1)
- Traceability (1)
- Traceability derivation (1)
- Transparency (1)
- Two Photon Polymerization (1)
- Two photon polymerization (1)
- Two-Photon Polymerization (1)
- Uncertainties (1)
- Vacuum compatible (1)
- Video (1)
- Waxs (1)
- X-ray generation (1)
- X-ray instrumentation (1)
- X-ray science (1)
- Yttria-stabilized zirconia (1)
- automation (1)
- extension (1)
- instrument utilization (1)
- laboratory automation (1)
- laboratory management (1)
- metadata collection (1)
- module (1)
- presentation (1)
- research efficiency (1)
- stl code (1)
- technical drawings (1)
- total scattering (1)
- ultra-small-angle X-ray scattering (1)
Organisationseinheit der BAM
- 6 Materialchemie (90)
- 6.5 Synthese und Streuverfahren nanostrukturierter Materialien (88)
- 6.6 Physik und chemische Analytik der Polymere (11)
- 5 Werkstofftechnik (7)
- 5.4 Multimateriale Fertigungsprozesse (4)
- 6.0 Abteilungsleitung und andere (4)
- VP Vizepräsident (4)
- VP.1 eScience (4)
- 5.1 Mikrostruktur Design und Degradation (3)
- 6.3 Strukturanalytik (3)
Efforts are rising in opening up science by making data more transparent and more easily available, including the data reduction and evaluation procedures and code. A strong foundation for this is the F.A.I.R. principle, building on Findability, Accessibility, Interoperability, and Reuse of digital assets, complemented by the letter T for trustworthyness of the data. Here, we have used data, which was made available by the Institute Laue-Langevin and can be identified using a DOI, to follow the F.A.I.R.+T. principle in extracting, evaluating and publishing triple axis data, recorded at IN3.
With Direct Laser Writing (DLW) maturing in all aspects as a manufacturing technology a toolset for quality assurance must be developed. In this work we want to introduce a first of its kind test artifact. Test artifacts are standardized 3D models with specific geometric feature to evaluate the performance of writing parameters. Test artifacts are already common in other 3D additive manufacturing technologies e.g. Selective Laser Melting. The test artifact introduced in this work was developed in particular to accommodate 1) the high geometrical resolution of DLW structures and 2) the limited possibilities to examine the resulting structure. Geometric accuracy, surface adhesion as well as confocal raman spectroscopy results were considered when evaluating the design of the test artifact. We will explain the individual features and design considerations of our DLW test artifact. The difference between two slicers, Cura and 3DPoli, and the implications on measured feature sizes and the general shape is quantified. The measured geometries are used to derive a general design guide for a specific combination of photoresist, laser power and scanning speed and to analyse the geometric accuracy of a structure produced using these guidelines.
Wide-range X-ray scattering datasets and analyses for all samples described in the 2020 publication "Gold and silver dichroic nanocomposite in the quest for 3D printing the Lycurgus cup". These datasets are composed by combining multiple small-angle x-ray scattering and wide-angle x-ray scattering curves into a single dataset. They have been analyzed using McSAS to extract polydispersities and volume fractions. They have been collected using the MOUSE project (instrument and methodology).
A brief introduction is given into our data collection and organization procedure, and why we have settled on the HDF5-based NeXus format for describing experimental data.
The links between NeXus and the SciCat data catalog is also provided, showing how the NeXus metadata is automatically added as searchable metadata in the catalog.
A tool for merging and/or rebinning single or multiple datasets to achieve a lower point density with best possible statistics. highly scriptable, CLI, no GUI
Version 0.1: works but could do with a cleanup. Weighting by uncertainty currently always on, but should be optional for use as an azimuthal or radial averager
he main objective of the nPSize project is to improve the measurement capabilities for nanoparticle size based on both measurement methods traceable to SI units and new reference materials. Two basic approaches have been used in order to develop measurement procedures resulting in traceable results of the nanoparticle size distribution: physical modelling for the methods used in the project (TSEM, SEM, AFM and SAXS) and machine learning.
Physical modelling: In this part, the physical models associated with different shape measurements for the techniques TSEM, SEM, AFM and SAXS have been collected and further developed with the aim to simulate the resulting signal as measured by the individual methods. Uncertainties and traceability associated with each model were investigated and evaluated. In the following, the progress on these physical models is reported for each individual method.
Machine Learning modelling: The aim of this part is to use machine learning to enable automatic measurement of nanoparticle shape from expert a-priori information only. No physical model will be used as a-priori information in this task.
The accuracy and traceability of the size results obtained by each technique will be analyzed and compared with the physical modelling. A machine learning database will then be used to create automatic detection algorithms.
Compared to the clear, real-space images you can get from electron microscopy, X-ray scattering patterns are rather featureless. These patterns, however, contain structural information from all of the material structure illuminated by the X-ray beam. With this technique, you can measure nanoparticle dispersions, catalysts, composites, MOF powders, battery materials, light metal alloys and gels to reveal information on the structural features found within these materials. We have even measured many such materials for several research groups from the University of Birmingham, revealing structure features in the sub-nm to the micrometer range.
Measuring an X-ray scattering pattern is relatively easy, but measuring a high-quality, useful pattern requires significant effort and good laboratory organization. Such laboratory organization can help address the reproducibility crisis in science, and easily multiply the scientific output of a laboratory, while greatly elevating the quality of the measurements. We have demonstrated this for small- and wide-angle X-ray scattering in the MOUSE project (Methodology Optimization for Ultrafine Structure Exploration) [1]. With the MOUSE, we have combined: a) a comprehensive and highly automated laboratory workflow with b) a heavily modified X-ray scattering instrument. This combination allows us to collect fully traceable scattering data, within a well-documented, FAIR-compliant data flow (akin to what is found at the more automated synchrotron beamlines). With two full-time researchers, our lab collects and interprets thousands of datasets, on hundreds of samples, for dozens of projects per year, supporting many users along the entire process from sample selection and preparation, to the analysis of the resulting data.
Introduction
A good laboratory organization can help address the reproducibility crisis in science, and easily multiply the scientific output of a laboratory, while greatly elevating the quality of the measurements. We have demonstrated this for small- and wide-angle X-ray scattering in the MOUSE project (Methodology Optimization for Ultrafine Structure Exploration). In the MOUSE, we have combined: a) a comprehensive laboratory workflow with b) a heavily modified, highly automated X-ray scattering instrument. This combination allows us to collect fully traceable scattering data, with a well-documented data flow (akin to what is found at the more automated beamlines). With two full-time researchers, the lab collects and interprets thousands of datasets, on hundreds of samples for dozens of projects per year, supporting many users along the entire process from sample selection and preparation, to the analysis of the resulting data.
While these numbers do not light a candle to those achieved by our hardworking compatriots at the synchrotron beamlines, the laboratory approach does allow us to continually modify and fine-tune the integral methodology. So for the last three years, we have incorporated e.g. FAIR principles, traceability, automated processing, data curation strategies, as well as a host of good scattering practices into the MOUSE system. We have concomitantly expanded our purview as specialists to include an increased responsibility for the entire scattering aspect of the resultant publications. This ensures full exploitation of the data quality, whilst avoiding common pitfalls.
Talk scope
This talk will present the MOUSE project as implemented to date, and will introduce foreseeable upgrades and changes. These upgrades include better pre-experiment sample scattering predictions to filter projects on the basis of their suitability, exploitation of the measurement database for detecting long-term changes and automated flagging of datasets, extending the measurement range through an Ultra-SAXS module, and enhancing MC fitting with sample scattering simulations for better matching of odd-shaped scatterers.
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.