[lammps-users] simulating porous materials

Dear LAMMPS’ users,

I’m trying to simulate a porous material through LAMMPS. I know that we can make it with the delete_atom command and via its porosity option. But within this option we just can define the pore volume fraction. I am looking for some ways to define the average diameters of ligaments. Does anybody have experience with this issue?

Niaz Abdolrahim

You can start with the dense equilibrated system and create spherical holes in it easily with fix/indent command. Here, you can define the size of the hole and its position as well. Look at the doc pages. This way you can get what you want exactly. Here, you would have to make sure that the hole diameter should be much more than cut-off interaction distance in order to be stable.


Dear Vikas,

Thank you for your reply. But I think by the method you explained we can not get a uniform structure with the ligaments of the same average size. What I need is to simulate a foam like metallic specimen with ligaments of very tiny sizes (say 2 to 5 nm). I searched through literature and found these kind of structures are usually simulated by spinodal decomposition methods. I believe that it is not possible to to apply this method within MD softwares such as LAMMPS because of time limitations and it may be possible with Monte Carlo simulation. but I am not completely sure.
Does anybody have any idea of using spinodal decomposition simulations?