In the frame of Platform material digital (PMD), on 29th of April 2021, an onboarding workshop on workflow environments was organized for the members of the platform. A series of pyiron workflows have been presented in the workshop by Dr. Muhammad Hassani from MPIE. The video of this hands-on session is available on YouTube via the link.
In the video, the generic features of pyiron on handling typical material science workflows are introduced. It is also shown how one can integrate new python/non-python simulation/analysis tools into pyiron.
Moreover, in an exemplary workflow, the interfacing between a series of LAMMPS atomistics simulations and crystal plasticity simulations of DAMASK via a pyiron project is demonstrated. The workflow determines the macroscopic response of an Al-Mg alloy based on its atomistic properties.
The notebooks presented in the video can be accessed via materialdigital/PMD-workflow-workshop.