Notes from TF meeting 03.04.2023

[budschi]

Area A task force

Discussion on next topics and current activities in Area A

• XRD
  • first goal: simple schema, simple/basic XRD measurements (e.g. 1d over 2theta)
  • later: more complex stuff to do, all scattering experiments (comment by Tamas)
  • http://gisaxs.com/index.php/GI_missing_wedge
  • current status and next steps:
    • Pepe schema in NOMAD
      • general and simple schema
    • Altug is extending for PDI
    • common issue here: XRD #38
• sources dicussion (sse PVD)
• AFM
  • Tamas wrote general class
  • could be developped similarly like XRD
• PVD schema:
  development of an general class which can serve for the different methods in Task A.2 Synthesis from the melt:
  • PLD: Micha Götte, Holger, Hampus (Unold)
  • connect to ontologies for solar cell preparation
  • add MOVPE
  • add MBE
  • add sources (anything to vapor)--> discussion on sources needed in TF
• Substance class
  • to be revised
  • add PubChem API call
• calculations and analysis:
  • add a schema for simple calculations and analysis in NOMAD
• GaO MOVPE use case (Ta-Shun, IKZ)
  • from data to ML
• Present MOVPE schema and use case from Luca Seravalli, Parma, Italy