Speaker
Description
Achieving an interoperable representation of knowledge for experiments and computer simulations [1-4] is the key motivation behind the implementation of tools for FAIR research data management in the condensed-matter physics and materials engineering communities. Electron microscopy and atom probe tomography are two key materials characterization techniques used globally and across disciplines. Many research data artifacts from these communities are already publicly shared using various formats but offering limited interoperability [5, 6]. This highlights the need for the development of tools specialized in information extraction and semantic mapping. Fundamental to these tools' effectiveness is the creation of thorough and transparent documentation using outlets which are readily available to the public, and derived from collaborative efforts where community representatives concur on establishing and employing standardized forms of knowledge representation.
In this work, we report on our progress on developing comprehensive data schemas, respective domain ontologies, and software tools for generating interoperable research data artifacts within the electron microscopy and atom probe tomography communities. Technically, these tools are standalone software libraries, plugins, and data schemas that we have incorporated into NOMAD Oasis [5-7], offering a locally-installable version of the NOMAD research data management system (RDM). This integration aims at an augmentation of the RDM capabilities in note-keeping, file format parsing, cloud-based domain-specific data analyses, and information retrieval with greater customizability for specific research needs.
We will present specific examples of customizations for electron microscopy, atom probe tomography, microstructure evolution modeling [6-9], and how these can be used out-of-the-box in NOMAD.
1 M. D. Wilkinson et al., (2016), https://doi.org/10.1038/sdata.2016.18
2 A. Jacobsen et al., (2020), https://doi.org/10.1162/dint_r_00024
3 M. Barker et al., (2022), https://doi.org/10.1038/s41597-022-01710-x
4 M. Scheffler et al., (2022), https://doi.org/10.1038/s41586-022-04501-x
5 M. Scheidgen et al., (2023), https://doi.org/10.21105/joss.05388
6 https://github.com/FAIRmat-NFDI/
7 https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR
8 https://www.re3data.org
9 https://explore.openaire.eu