Creating Surface roughness

Dear All,

I am trying to create spherical particle (few tens of nanometers in size) with certain amount roughness .

Can someone help me know whether its possible to incorporate roughness on a spherical particle using lammps commands?

Otherwise, can anyone suggest other ways to do it in lammps. Thank you.

Regards,
Gopal Das
Indian Institute of Science, Bangalore

Did you try with ‘delete_atoms’ option? You can define group(s) near the surface of the spherical particle with specific roughness profile and detele atoms within these groups.

Sanjib

A “rough” surface could mean many different things. You will have to clarify what kind of rough surface you want.

In nature, rough surfaces are created by a physical process(eg, deposition, aggregation, erosion…). If you want to create a realistically rough surface, then you may need to learn more about this process and simulate it. In that case, starting with a smooth spherical structure is probably good enough.

Generally speaking, when trying to create a system with a complicated geometry, most people do not rely on LAMMPS input script commands. Instead, they create a “DATA” file. The basic format of this file is explained here:
http://lammps.sandia.gov/doc/2001/data_format.html

… and there are some tools to help you create these files here:

http://lammps.sandia.gov/prepost.html

Cheers
andrew