IUC05 Digital infrastructure and workflows for labs

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Main Task Area: TA-WSD
Other related Task Areas: TA-MDI
Possible connections within NFDI: NFDI4Chem
Material/Data: Mechanial characterization workflows – nanoindentation data-sets in form of load, displacement, time, possibly extended to dynamic response (load and displacement amplitude, phase shift), temperature; meta-data associated with instrument specifications and calibration files, specimen geometry, material description (possibly based on material/microstructure ontology)
Main Success Scenario: (i) a data base and workflow for nanoindentation-based testing and analysis is established for appropriate comparison and/or re-evaluation of data, (ii) electronic lab-books and procedures to handle the synthesis of materials and history of samples implemented, (iii) the data be made accessible to the materials community.
Added value for the MatWerk community: The implementation can be used by the community as example for many characterization lab workflows and the integration of equipment. It will allow (i) old data sets to be readily re-analyzed with updated algorithms from new knowledge, with access to complete data sets (raw and meta-data previously not of interest), (ii) comparison of data across different groups, instruments, testing protocols, (iii) allow robust statistical analyses, (iv) contribute to updatable material data base

Main requirements

  • Exemplary machine interface implementations
  • Storage of data, meta data, based on a materials ontology
  • Automated analysis workflows
  • Flexible data labeling system (can be updated, changed) for sorting of data sets, allowing appropriate comparisons of data

Related Participant Projects

Description

Results of mechanical tests are often presented as evaluated material properties, such as yield stress or elongation to failure. However, the raw data of the machine and the continuously recorded “raw data”, i.e. load, displacement and time data, are typically not part of the presentation. The IUC shall provide a tool for storing and evaluation of raw mechanical test data while maintaining typically “hidden” information of the mechanical testing setup. Data analysis frameworks according to standards as well as new methods should be considered.

  • Instrument artifact identification via statistically robust comparison of data sets on standard samples using different instrumentation
  • Establish mechanical response catalog for a given sample and link to material structure ontology IUC and correlation IUC for new knowledge on structure-property relations
  • Extending nanoindentation data evaluation to other test sample geometries (flat surface, pillar compression, beam bending, different tip geometries)

Nanoindentation data from different indentation systems will be stored in a systematic way, allowing the consistent analysis of the data according to established models and new methods.