In this repository you will find the jupyter notebooks from our workshop StahlDigital Meet Industries organized by our project StahlDigital. The notebooks explains how to run simulation workflows from atomistic to continuum scale. The notebooks are located inside the folder 00_pyiron_damask_tutorial/
Here is a short description of the notebooks:
- Notebook 1 (
01_introduction_to_pyiron.ipynb): General introduction to Pyiron. - Notebook 2 (
02_damask_tensile_test_simulation.ipynb): Shows how to setup and run DAMASK tensile test simulation with pyiron. Also (second part of the notebook), how run LAMMPS simulation, get elastic constants, and used them to run damask simulation. - Notebook 3 (
03_damask_multiplerolling.ipynb): Shows how to setup and run damask rolling simulation with pyiron. In this notebook, we will get the damask input parameters from DSMS and use them to run the pyiron job. - Notebook 4 (
04_lammps_damask_workflow.ipynb): Show how to run lammps jobs for Fe-Al alloys with different Al concentration to calculate elastic constants, use these elastic constants to run damask tensile test simulation for these alloys.
To run these notebooks directly in your web browser click on the MyBinder link below:
