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.

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.


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:

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