Extension of the ParaDiS code to include precipitate interactions, and code optimisation to run on HPC environment

Here present two featured software modules of the month:

  1. ParaDiS with precipitates
  2. ParaDiS with precipitates optimized to HPC environment

that provide extensions to the ParaDIS Discrete dislocation dynamics (DDD) code (LLNL, http://paradis.stanford.edu/) where dislocation/precipitate interactions are included. Module 2 was built to run the code on an HPC environment, by optimizing the original code for the Cray XC40 cluster at CSC in Finland. Software was developed by E-CAM partners at CSC and Aalto University (Finland).

Practical application and exploitation of the codes

The ParaDiS code is a free large scale dislocation dynamics (DD) simulation code to study the fundamental mechanisms of plasticity. However, DDD simulations don’t always take into account scenarios of impurities interacting with the dislocations and their motion. The consequences of the impurities are multiple: the yield stress is changed, and in general the plastic deformation process is greatly affected. Simulating these by DDD allows to look at a large number of issues from materials design to controlling the yield stress and may be done in a multiscale manner by computing the dislocation-precipitate interactions from microscopic simulations or by coarse-graining the DDD results for the stress-strain curves on the mesoscopic scale to more macroscopic Finite Element Method.

Modules 1 and 2 provide therefore an extension of the ParaDIS code by including dislocation/precipitate interactions. The possibility to run the code on HPC environments is also provided.

Software documentation and link to the source code can be found in our E-CAM software Library here.