/pyiron_workflow_examples

Primary LanguageJupyter Notebook

pyiron_workflow_examples

Here, you can find examplary notebooks for pyiron workflows. Pyiron play the role of a workflow manager software, while it runs the simulations/analysis underneath using various simulation/analysis software, such as LAMMMPS, DAMASK, and FEniCS. In this repository, you can find following examples:

  1. LAMMPS-DAMASK Workflow: Macroscopic mechanical behavior of Cu-Ni alloys
    Binder
    In the LAMMPS-DAMASK-workflow/Lammps-damask-workflow.ipynb notebook, elastic constants for various concentraitons of Cu and Ni in Cu-Ni alloys were obtained from LAMMPS simulations. Then the elastic constants are fed to DAMASK simulation to determine the macroscopic response of a multi-grain Cu-Ni system under tensile loading.
    Via the following link you can test the LAMMPS-DAMASK-workflow notebook on binder: https://mybinder.org/v2/gh/muh-hassani/pyiron_workflow_examples/main
  2. FEniCS workflow example: A membrane under gauassian-distributed loads
    In the FEniCS/PoissonEq/membrane_under_gaussian_load.ipynb notebook, the defelection of a circular membrane under various gaussian-distributed loads are studied. FEniCS are used to solve Poisson equation for the defelection of the membrane, while pyiron manages the jobs and the I/O data. The sharpness of the distributed load is varied to study the reponse of the membrane. Finally the deflection of the membrane for various loads are ploted.
    Binder