Dear LAMMPS users,
I want to determine whether the 2d particles have reached the close-packing state, and compute the overlap distance between particles.
Could you please tell me how to achieve this in LAMMPS?
Thank you in advance.
Best wishes,
Ann
This is too vague a description to give any specific advice, but please have a look at the available compute styles in LAMMPS 6.7. Compute styles — LAMMPS documentation
There are several options to classify atoms according to their environment, either individually or averaged over the whole system.
Let me give a simple example to illustrate. Suppose there are two spherical particles on a plane. The center coordinates of particle 1 are (3,3) and its radius is 4. The center coordinates of particle 2 are (5,5) and its radius is 5. I want to calculate to overlap area of these two particles in 2d.
More generally, I want to calculate the overlapping area between particles of different diameters within a plane. It seems that there is no compute style for the amount of particle overlap.
Thank you in advance.
Ann
That is a very unusual computation and very specific to your research. This is not likely included in a general purpose software like LAMMPS. Most people will likely write a custom trajectory postprocessing tool for this.
Thank you for your reply. I want to conduct real-time detection of the particle overlap quantity during the compression or shear process of the granular system.
Ann
If a feature is not available in LAMMPS, and you depend on it, then the only alternatives are that you implement the feature yourself or find a collaborator that is willing to do it for you. Most of LAMMPS came into existence like that. 3. Modifying & extending LAMMPS — LAMMPS documentation
OK. Thank you!
Ann