Free volume per-atom

OVITO
1

Dear OVITO developers,

First of all, thank you for developing such a powerful visualization and analysis tool.

I would like to know how to calculate and visualize the free volume per atom in OVITO, similar to the attached figure.

IMG_20260721_185916
IMG_20260721_185916738×520 90.9 KB

Could someone please explain the procedure step by step? Specifically:

Which modifier(s) should I use?

Thank you very much for your help. Any tutorial or example would be greatly appreciated.

2

Hi,

In OVITO, this is a multi-step process:

  1. Use the Voronoi analysis modifier to compute the atomic volume (depending on your system, you might need to use the polydisperse Voronoi tessellation).
  2. Use the Spatial Binning modifier to create a spatial averaging and mapping of the atomic volume data.
  3. Use the Slice modifier to visualize the 3D spatial grid produced by the Spatial Binning modifier.

Hope this helps!