How to achieve polycrystalline stretching?

[Dreamer-zh]

Thank you for the tutorial. Have tried so far, but how to achieve polycrystalline stretching? It has always been a problem.

The polycrystalline structure uses random grains created by Atomsk software. The above is the structure file. I have tried calculations, but the performance at the grain boundary is not very good. So ask you for help.

Write to Fe_unitcell.xsf

Bcc Fe oriented X=[100] Y=[010] Z=[001].

CRYSTAL PRIMVEC 2.85530000 0.00000000 0.00000000 0.00000000 2.85530000 0.00000000 0.00000000 0.00000000 2.85530000 CONVVEC 2.85530000 0.00000000 0.00000000 0.00000000 2.85530000 0.00000000 0.00000000 0.00000000 2.85530000 PRIMCOORD 2 1 26 0.00000000 0.00000000 0.00000000 26 1.42765000 1.42765000 1.42765000

Fe_voronoiRandom.txt box 100 100 25 random 10

Fe_polycrystal.lmp is generated by the following command

atomsk --polycrystal Fe_unitcell.xsf Fe_voronoiRandom.txt Fe_polycrystal.cfg lmp -wrap

Happy New Year! Sincerely