Demonstrators

MSE Workflow Demonstrator

Collaborative Determination of Elastic Modulus in Aluminium through Simulation and different Nanoindentation Analysis

This MSE Workflow Demonstrator illustrates how nanoindentation analyses and simulations can be combined in a digital workflow to compare the elastic modulus of Al AW1050W under varying normal forces. It builds on results from three research groups: contact area measurement, the Oliver-Pharr method, and DFT simulations.

MSE Workflow Demonstrator

From electrons to phase diagrams with machine learning potentials using pyiron based automated workflows

This MSE Workflow Demonstrator shows how pyiron integrates interatomic potentials with automated free-energy calculations using calphy, enabling the computation of phase diagrams from atomistic simulations in a reproducible workflow.

IUC Workflow Demonstrator

Streamlining data upload to openBIS with automatic metadata extraction.

This IUC Workflow Demonstrator shows how research data can be integrated into the openBIS RDM system. This transfer is performed in a user friendly way annotating the openBIS entry with the metadata form the files automatically.

IUC Workflow Demonstrator

Building knowledge graphs from simulation data of crystallographic defects

This IUC workflow showcases how to integrate ontologies and metadata schemas into computational workflows using atomRDF, to enable FAIR annotation and integration of crystal defects data from simulations into interoperable knowledge graphs.

IUC Workflow Demonstrator

Development and application framework for distribution of reference datasets

The IUC Workflow Demonstrator allows users to validate a dataset against a predefined reference metadata schema and SHACL shapes. It is based on a general framework for creating, providing, identifying, and using reference datasets as best-practice example.