grain growth by molecular dynamics simulation

Dear developers,

Recently, we are studying to use MD to simulate grain growth. We have read some papers, for example, grain growth by grain rotation. Is it possible to implement grain growth simulation in MD for lammps? If can, which commends should use in two dimension?

Please help us if you have the answer.

Best regards


yes, you can do grain growth with MD generally, and
LAMMPS. There is no special command to do it,
since grains often grow naturally when you anneal
an amorphous or polycrsytalline sample. It’s just
a question of size and timescale.

One example, a 2010 Science paper by Holm
and Foiles used LAMMPS for grain growth in pure Ni.