Hi all,
I am looking to track the KE of sputtered atoms during an impact simulation. For example, I impact a substrate at 1 keV and expect 1-3 atoms to be sputtered. I want to track the KE distribution of these sputtered atoms. Based on previous literature they often do 500-1000 iterations to produce the distribution of the energy of sputtered atoms. Each iteration has 1 impact. Therefore this becomes a bit of a data overload. My plan was to use next/jump to have them all run in one large file.
My current method is to impact, then dump the z coordinate and ke of all atoms. I can then look for any atom with z coordinate above the surface and track its KE. However, with 40000 atoms and a dump every 100 time steps this is going to be a massive amount of data to process when we have 1000 dump files. Is there any easier or more efficient way of doing this?
For example I have thought of:
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assigning sputtered atoms to a group based on their z coordinates then only dumping the KE of this group (however I don’t think I can use conditional statements to define a group)
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printing the KE in a text file only if it is above a certain value, again I don’t think I can do this
Thanks very much.
Liam