[lammps-users] make the nanowires with different cross-sectional shapes

Hello,

I could make square nanowires as followings :

region box block 0 20 0 4 0 4
create_box 1 box
create_atoms 1 box

but I can’t make the nanowires with different cross-sectional shapes like rhombic or circular shapes.
how can I make those nanowires with LAMMPS?

and how can I make some regions with atoms which belong to inclined surfaces or triangles.
please let me know the commands.

thanks for reading :slight_smile:

I guess lammps doesn’t have those commands. You need to write your own code by cutting the nanowires from a huge box with whatever shape you want and it is not difficult.

AC

You can add region commands pretty easily, but LAMMPS doesn't
have region commands for all the odd shapes you mention. Easiest
is what AC said - generate the geometry you want and put the
atoms in a data file for LAMMPS to read in.

Steve