IUC10 Interoperability of workflow systems (collaboration with NFDI4Ing)

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Main Task Area: TA-WSD
Other related Task Areas: TA-OMS, TA-CI
Possible connections within NFDI: NFDI4Ing
Material/Data: Multiscale simulation of microstructure formation
Main Success Scenario: The user will be able to connect the tools and concepts employed by different communities to complete simulation protocols. Therewith, a multi-scale simulation of microstructures in materials becomes accessible, which connects, e.g. atomistic and phase field simulations.
Added value for the MatWerk community: The purpose of the IUC is to demonstrate the transfer of simulation protocols from one workflow system to another one. This gives the MatWerk community the chance of accessing tools designed for the needs of the whole engineering community captured in NFDI4Ing.

Main requirements

  • Integrated development environment that allows flexible adaptations
  • Special workflow formats for multiscale materials simulations
  • Ontology development at the interface of different communities
  • Data formats for materials data infrastructure

Related Participant Projects

Description

Within engineering sciences, NFDI4Ing received a funding admission to implement common interfaces between the different disciplines of engineering sciences. Within their archetype Ellen the exchange of information between heterogeneous disciplines is addressed, with a focus on diverse data sources. In the present IUC, we extend this concept to the exchange of workflows. More specifically, an integrated development environment for the specific needs of NFDI-MatWerk is developed within measure WSD-4. At the same time NFDI4Ing uses the workflow system KaDI4Mat within the community cluster“Materials Science and Engineering” for simulations as well as tracking samples (in archetype CADEN). Ensuring the interoperability between both systems, optimally connects NFDI-MatWerk to the whole framework of engineering science. Within this IUC the advantages will be prototypically demonstrated for the multiscale simulation of hierarchical microstructures. Here, the interoperability of workflows will be used to connect atomistic simulations (NFDI-MatWerk) with continuums simulations of microstructure formation during solidification (NFDI4Ing).