/ddrx-simulation

A spin-off code of the 'Voronoi PCC Analyser' software project. Created as a simulation tool for nucleation-and-growth (NAG) structure evolution processes based on the discrete combinatorial representation of 2D and 3D polycrystalline materials.

Primary LanguageJupyter Notebook

Source code and data files for Discrete model for discontinuous dynamic recrystallisation in its application to post-dynamic recrystallisation inside adiabatic shear bands paper.

docker build . -t oubush/newddrx:latest

docker run -d -it --name ddrx -v ./results:/app/results oubush/newddrx:latest

docker exec -it ddrx bash

docker start ddrx

python /app/src/main.py --file n100-id1.tess --dir res --special n100-id1-spec-14-1.txt

neper -T -n 1000 -id 1 -dim 3 -statedge length -statface area -statpoly vol

neper -V n100-id1.tess -print img

test2D test2D1000 test3D test3D1000

  • run-parallel.sh
  • generate-html.py

Simulation can be run inside docker container

main.py - to run simulation simulation.py - class Simulation

Option pct_change_mode can be "var" (number of new seeds are varying) or "const" (number of new seeds are the same for all the simulation steps).

Total number of new seeds is set to 20 * initial number of grains. If "const", number of steps = total number of new seeds / number of new seeds on each step.

For transformations, see notebooks.

Discrete representation of n(t) equation from the paper assumes const temperature during small time interval, which determines the number of new seeds during this time interval.

In results/ names mean:

i.e. n10-id1-2-1-100-1-1

n10: number of grains id1: neper id parameter value 2: number of special GBs 1: variant of initial special GBs 100: number of steps 1: number of new seeds on each step (if const) 1: number of run (differents runs yields potentially different results)

For 2D 100 grains calculation time < 1 s, for 1000 grains approx. 20 min