Establish grain boundary atom model

LAMMPS LAMMPS Beginners
1

I wan to model CSL (Coincidence Site lattice) grain boundaries，but h

photo
photo448×619 68 KB

ow to remove overlapping atoms at grain boundaries

2

Would the delete_atoms command with the overlap keyword solve your issue?

Simon

3

Thank you for your reply. Is there a standard for the selection of that critical distance by using the delete_atoms command?

4

I don’t think so, this is system-dependent.