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materialdigital/pyiron-workflow-damask

 
 

pyiron workflow damask

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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.

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pyiron based workflows for DAMASK simulations

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  • Jupyter Notebook 96.4%
  • Shell 2.5%
  • Python 1.1%