Infrastructure interfaces with condensed matter physics

NFDI-MatWerk and FAIRmat work together on using conda for simplifying and modernizing the deployment of the software stack and using pyiron for simplifying the configuration of these workflows. These workflows read and write HDF5, annotated using the NeXus data model as a semantic interoperability layer and data storage schema for making atom probe data contextualized and accessible in research data management (RDM) systems. NOMAD is one example of such an RDM system that we explore.

Link to DemonstratorLink to IUC09

Atom probe tomography (APT) and related field-ion microscopy became mature nanoscale structure and composition characterization methods: A technique to gain a more detailed understanding of microstructure-materials-properties relations and a rich collection of distributed point-cloud datasets for developing new and improving existent data-analysis techniques. There are several possibilities for improving the current state-of-the-art in terms of how software for analyzing atom probe data gets developed, how such software is being used, and how we can support scientists who would like to share datasets and results more frequently between laboratories. 

This demonstrator implements a workflow for characterizing microstructural features within material volume reconstructed using atom probe tomography. Serving as a blueprint how software tools that are written in different programming languages can be combined, this demonstrator shows the cooperation between the NFDI-MatWerk and FAIRmat consortia on coupling different tools for analyzing atom probe data and showing their interoperability.