Hello,
I have a data file for polymer & I used the OVITO Voronoi analysis to calculate the pore size distribution(psd) of the polymer. For that I checked the cavity size after the doing the Voronoi analysis & made a histrogram with that. However, I think Ovito use the atom point to get the cavity sizes corresponding to that atom. I am not sure how accurate to calculate the pore size distribution depending on the OVITO Voronoi analysis as I have seen other method like zeo++ use random points to get the psd.
Is there any way I can get the cavity sizes not only for the atom co-ordinates points but also for the more discrete random points?
Have you considered using the Construct Surface Mesh Modifier, yet? Its Gaussian density method might be better suited to identify pores and calculate pore size distributions in your system than Voronoi Analysis. I’ve linked the corresponding manual article containing further details above.
Hello, I’ve been working on this issue recently and would like to ask you how you can use clusters to analyze the size of holes.
As mentioned in the above answer, you should use the Construct surface mesh modifier to identify empty regions in your system.
would like to ask you how you can use clusters to analyze the size of holes.
To clarify a bit - the cluster analysis modifier only operates on particles on the system. It is designed to partition particles into groups (clusters) based on some neighboring criterion. Therefore, it generally can’t be used to classify or analyze voids as these do not contain particles.