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Model driven data space exploration: Interoperable infrastructure for experimental and computational data

Kerzel, Ulrich; Mathews, Prince; Mouhib, Fatim-Zahra; Siemer, Niklas; Kruzikova, Pavlina; Hunke, Sirieam; Ost, Philipp ORCID iD icon 1; Korte-Kerzel, Sandra; Hickel, Tilmann
1 Scientific Computing Center (SCC), Karlsruher Institut für Technologie (KIT)

Abstract (englisch):

Model driven data space exploration: Interoperable infrastructure for experimental and computational data

A perspective from IUC04 / PP02 / SFB1394

 

Ulrich Kerzel, Prince Mathews, Fatim-Zahra Mouhib, Niklas Siemer, Pavlina Kruzikova, Sirieam Hunke, Philipp Ost, Sandra Korte-Kerzel, Tilmann Hickel

 

 

The Collaborative Research Centre (CRC/SFB) 1394 is a participant project of NFDI-MatWerk and dedicated to a comprehensive exploration of defects in materials and their consequential influence on material properties. The overarching objective is the development of defect phase diagrams, analogous to thermodynamic bulk phase diagrams, which succinctly delineates the impact of defect phases on materials relative to the chemical potential.

The construction of such a defect phase diagram presents a significant challenge, requiring the integration of an extensive array of experimental data with corresponding outcomes from theoretical models and computer simulations. A diverse range of scientific instruments and processes as well as computational simulation techniques is employed. The ensuing challenge addressed in the infrastructure use-case IUC04 of NFDI-MatWerk is the harmonization of the data generated by these instruments and tools, often in bespoke and proprietary formats, and capturing both the data and associated metadata efficiently.
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Zugehörige Institution(en) am KIT Scientific Computing Center (SCC)
Publikationstyp Forschungsbericht/Preprint
Publikationsdatum 19.11.2024
Sprache Englisch
Identifikator KITopen-ID: 1000176431
HGF-Programm 46.21.01 (POF IV, LK 01) Domain-Specific Simulation & SDLs and Research Groups
Weitere HGF-Programme 46.21.05 (POF IV, LK 01) HMC
Verlag Zenodo
Umfang 39 S.
Projektinformation NFDI-MatWerk (DFG, NFDI 38/1)

Volltext §
DOI: 10.5445/IR/1000176431
Veröffentlicht am 20.11.2024
Originalveröffentlichung
DOI: 10.5281/zenodo.14184496
Seitenaufrufe: 15
seit 21.11.2024
Downloads: 5
seit 30.11.2024
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