pyiron_workflow_lammps-damask_interface

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pyiron workflow: lammps-damask interface

Version: 0.0.4

Author(s): Liam Huber <huber@mpie.de>, Jan Janssen <janssen@mpie.de>, Muhammad Hassani <hassani@mpie.de>

pyiron lammps damask mechanical response
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The workflow obtain macroscopica mechanical response based on atomistic mechanical properties

Source:
https://github.com/materialdigital/pyiron-workflow-damask

README.md

pyiron workflow damask

Binder

The workflow obtain macroscopic response of a Al-Mg system under tension based on atomistic mechanical properties. Continuum simulation is done using DAMASK, and atomistics simulation is performed using LAMMPS.