LAMMPS WWW Site - LAMMPS Documentation - LAMMPS Mailing List Archives
[lammps-users] creating grain boundary using two supercell
[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

[lammps-users] creating grain boundary using two supercell


From: Keshab Bashyal <kbashyal@...3211...>
Date: Sun, 5 Nov 2017 20:09:39 -0600

Dear lammps user, 
I have created two supercells of Cu with different orientations. The two files I have created using xtal are top_cu.lmp and bottom_cu.lmp. I can use read_data command to read both files.The dimension of both the supercells are 6*11*5. 
 Can I set up grain boundary using region command? 
Could you please suggest a way to initiate a grain boundary. I know I have to delete the overlapped atoms later on. I am confused in initializing the boundary. 
Thank you.