[lammps-users] multicomponet substrate and deposition

LAMMPS LAMMPS Mailing List Mirror
1

Dear Lammps users,

The aim of my work is to simulate coating grow due to ion bombardment. I want simulate DLC (diamond like carbon) coating grow. I want to simulate how change ratio of sp2 to sp3 bonds after some stages of process.
So I want to generate first initial substrate of specific ratio of sp2 and sp3 and also with some part of titanium and
TiC and to bombard with deposit command. I am new to Lammps.I want to bombard with carbon.
Could you advise me how to generate such multi component structure for simulation? So I will have C, Ti elements in substrate and with specific bonds at the beginning of simulation. Maybe you have some examples how to do it?

thank you in advance

Best Regards!
szkot

2

What potential are you going to use? The fix deposit
command can introduce atoms, but you'll have to see
if it has the options you want. If not you'll need to augment
it.

Steve