How to calculate the fraction of bond switching

OVITO
1

Dear users,
I am try to compute the curves of fraction of Al experiencing bond switching events during deformation in amorphous alumina.
Please see the paper, as an sample- Tensile ductility and necking in consolidated amorphous alumina, Figure 4 (B).
I don’t know how to generate the original data sheet.
Is it calculated with ovito ?

Thanks in advance

Best
Qinqin

2

Sorry, it’s very difficult to understand your question.
Please provide the file attachment you are mentioning.

3

image
image1920×1330 175 KB

4

Assuming you have generated a trajectory with particle and bond information, you can use OVITO’s Python API to identify and count the number of bonds attached to each particle, see e.g. ovito.data.BondsEnumerator.