Ingenieurwissenschaften und zugeordnete Tätigkeiten
Filtern
Dokumenttyp
- Forschungsdatensatz (15) (entfernen)
Sprache
- Englisch (15) (entfernen)
Referierte Publikation
- nein (15)
Schlagworte
- X-ray scattering (5)
- MOUSE (3)
- Nanomaterials (3)
- Python (3)
- SAXS (3)
- X-ray (3)
- Data conversion (2)
- Framework (2)
- HDF5 (2)
- Measurement data conversion (2)
- NXsas (2)
- Nanocomposite (2)
- NeXus (2)
- Neutron (2)
- Scattering pattern analysis (2)
- Small angle scattering (2)
- Two-photon polymerization (2)
- 3D Fourier Transform (1)
- 3D printing (1)
- 60-230V (1)
- Additive manufacturing (1)
- Analyses (1)
- Analysis (1)
- Analysis approach (1)
- Anhydrite (1)
- Arbitrary shapes (1)
- Automation (1)
- Boehmite (1)
- Calcium sulfate (1)
- Calibration structure (1)
- Ceramic microprinting (1)
- Channel access (1)
- Command line (1)
- Command-line interface (1)
- Data (1)
- Data analysis (1)
- Data fitting (1)
- Datasets (1)
- EPICS (1)
- Electric Safety Interlock (1)
- FFT (1)
- Graphs (1)
- High Resolution (1)
- Human factor (1)
- Human influence (1)
- Images (1)
- Instrument control (1)
- Instrumentation (1)
- Laboratory automation (1)
- Laser writing (1)
- Measurement methodology (1)
- Mechanical testing (1)
- Mesocrystal (1)
- Methodology (1)
- Microprinting (1)
- Monte carlo (1)
- Motor controller (1)
- Multi-photon light structuring (1)
- Multi-scale measurements (1)
- Neutron scattering (1)
- PDF (1)
- Polydispersity (1)
- Polymer nanocomposite (1)
- Reference structure (1)
- Round robin (1)
- SANS (1)
- SAXS/WAXS (1)
- STL file input (1)
- Saxs (1)
- Scattering (1)
- Scattering pattern (1)
- Scattering pattern simulation (1)
- Simulation (1)
- Software (1)
- Systems architecture (1)
- Test structure (1)
- Traceability derivation (1)
- Transparency (1)
- Waxs (1)
- XRD (1)
- Yttria-stabilized zirconia (1)
- stl code (1)
- total scattering (1)
Organisationseinheit der BAM
This dataset is a complete set of raw, processed and analyzed data, complete with Jupiter notebooks, associated with the manuscript mentioned in the title.
In the manuscript, we provide a "systems architecture"-like overview and detailed discussions of the methodological and instrumental components that, together, comprise the "MOUSE" project (Methodology Optimization for Ultrafine Structure Exploration). Through this project, we aim to provide a comprehensive methodology for obtaining the highest quality X-ray scattering information (at small and wide angles) from measurements on materials science samples.
Dataset and Jupyter worksheet interpreting the (results from) small- and wide-angle scattering data from a series of boehmite/epoxy nanocomposites. Accompanies the publication "Competition of nanoparticle-induced mobilization and immobilization effects on segmental dynamics of an epoxy-based nanocomposite", by Paulina Szymoniak, Brian R. Pauw, Xintong Qu, and Andreas Schönhals.
Datasets are in three-column ascii (processed and azimuthally averaged data) from a Xenocs NanoInXider SW instrument. Monte-Carlo analyses were performed using McSAS 1.3.1, other analyses are in the Python 3.7 worksheet. Graphics and result tables are output by the worksheet.
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.
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).
Simulates X-ray and Neutron scattering patterns from arbitrary shapes defined by STL files.
Features:
- Uses multithreading to compute a number of independent solutions, then uses the variance of the results to estimate an uncertainty on the output.
- Can be launched from the command line using an excel sheet to define settings, or from a jupyter notebook.
- Outputs scattering patterns in absolute units if the contrast is set.
- A Gaussian size distribution is available, where the relative scaling of objects for each repetion can be varied. Recommended to be used with limited width (max. 10%) to avoid artefacts.
- Writes results with settings to an archival HDF5 file.
Application examples:
This software has been used in several studies to date. For example, it has been used here to simulate a model scattering pattern for a cuboid shape, which was then fed forward into the McSAS3 analysis program for analyzing scattering patterns of polydisperse cuboids. A second use is here, where it was used for the modeling of flattened helices. In this paper, scattering pattern features could be matched with particular morphological changes in the structure. Lastly, this paper has an example where it was used to validate the analytical analysis model, and explore the realistic limits of application of the analytical model.
2PP-TestArtifact
(2023)
This repository contains a test artifact (TA), also called test structure, designed for two-photon polymerization (also known as Direct Laser Writing (DLW) or Two/Multi-photon lithography (2PA/MPA)). Test artifacts can be used to compare structures, to check options used by the slicer, check the state of the 2PP machine itself or to get a construction guidelines for a certain combination of power, velocity and settings.
The associated paper can be found here: https://dx.doi.org/10.1088/1361-6501/acc47a
General ideas behind the test artifact:
1. optimized for 2PP-DLW
2. should be fast and easy to analyse with optical microscopy or 3. scanning electron microscopy without tilt.
3. short time to fabricate
4. include a reasonable amount of different features
5. bulk and small structures on the substrate
Test artifact for fs-LDW
(2023)
This dataset is a complete set of raw, processed and analyzed data, associated with the manuscript mentioned in the title.
All associated metadata and processing history has been added. Particle size distribution analyses using McSAS are included as well.
The samples consisted of a 4.2 mass% dispersion of yttria-stabilized zirconia nanoparticles in a cross-linked matrix. The measurements show a good dispersion with minimal agglomeration. The wide-angle region shows diffraction information consistent with zirconia.
McSAS3
(2023)
McSAS3 is a refactored version of the original McSAS (see DOI 10.1107/S1600576715007347). This software fits scattering patterns to obtain size distributions without assumptions on the size distribution form. The refactored version has some neat features:
- Multiprocessing is included, spread out over as many cores as number of repetitions!
- Full state of the optimization is stored in an organized HDF5 state file.
- Histogramming is separate from optimization and a result can be re-histogrammed as many times as desired.
- SasModels allow a wide range of models to be used
- If SasModels does not work (e.g. because of gcc compiler issues on Windows or Mac), an internal sphere model is supplied
- Simulated data of the scattering of a special shape can also be used as a McSAS fitting model. Your models are infinite!
- 2D fitting also works.
These are four datasets that were made available to the participants of the Small-angle Scattering data analysis round robin. The intent was to find out how comparable results from different researchers are, who analyse exactly the same processed, corrected dataset.
In this repository, there are:
1) a PDF document with more details for the study,
2) the datasets for people to try and fit
3) an Excel spreadsheet to document the results.
Datasets 1 and 2 were modified from: Deumer, Jerome, & Gollwitzer, Christian. (2022). npSize_SAXS_data_PTB (Version 5) [Data set]. Zenodo. https://doi.org/10.5281/zenodo.5886834
Datasets 3 and 4 were collected in-house on the MOUSE instrument.