Author Topic: Using OVITO to identify voids  (Read 1841 times)

jhart

  • Newbie
  • *
  • Posts: 22
Using OVITO to identify voids
« on: April 21, 2017, 04:36:48 PM »
Is anyone aware of a way to determine voids in your material with OVITO?
Also, is there a tool in OVITO to see the voids? Maybe some sort a mesh or something that clearly shows the location of the void, size, etc.

Alexander Stukowski

  • Administrator
  • Hero Member
  • *****
  • Posts: 638
Re: Using OVITO to identify voids
« Reply #1 on: April 21, 2017, 06:00:43 PM »
Hi,

OVITO has a tool to reconstruct the surface geometry from the atomic positions:

http://ovito.org/manual/particles.modifiers.construct_surface_mesh.html

It can be used to compute the overall porosity in a material and to make individual pores visible. However, OVITO currently doesn't provide a tool to analyze the size of individual voids.

jhart

  • Newbie
  • *
  • Posts: 22
Re: Using OVITO to identify voids
« Reply #2 on: April 21, 2017, 07:58:34 PM »
Since OVITO has a way to identify vacancies, could this be used in conjunction with the cluster modifier, to determine clusters of vacancies?

Alexander Stukowski

  • Administrator
  • Hero Member
  • *****
  • Posts: 638
Re: Using OVITO to identify voids
« Reply #3 on: April 23, 2017, 05:52:44 PM »
Yes, you could use the Wigner-Seitz modifier of OVITO to identify point defects, followed by an Expression Select modifier to select vacant sites (i.e. sites with occupancy==0), and finally use the Cluster Analysis modifier to build clusters of selected vacancy sites.

Note, however, that the Wigner-Seitz cell method may not yield valid results in certain situations (e.g. large elastic strain fields, in the presence of dislocations, etc.)