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Cluster Proximity Histogram

Hi,

Does Ovito allow for Cluster Proxigram (proximity histogram) analysis?

Hi,

The answer to your question is probably no, Ovito doesn't provide a function like this. But I would like to learn more about this type of analysis and will try to find some references describing the calculation of the proximity histogram. Perhaps there is a chance we can integrate something like it in a future version of our software. If you have any references or links to further information, please share them with us here. Thank you.

-Alexander

Hi,

I am no expert on atom probe tomography, but if I'm not mistaken a cluster proxigram is simply a profile of local atomic concentrations vs. proximity to an interface as described in Hellmann et al., Microsc. Microanal. 6, 437–444, 2000. The three steps to generate a proxigram described in this paper, involve "(1) a sampling to generate a regular grid of concentration points from the individual atomic positions; (2) an interpolation to identify an isoconcentration surface in the regular grid; and (3) a correlation of the surface to the original set of discrete three-dimensional atomic positions."

This analysis should be possible with the tools that OVITO Pro provides. At least steps 1 and 2 can directly be performed using a Spatial binning modifier and Create isosurface modifier. Step 3 is probably achievable using the python API.

Do you have some example data to show us?

-Constanze

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