Author Topic: Al2Cu C16- Tetragonal structure detection  (Read 72 times)

avik

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Al2Cu C16- Tetragonal structure detection
« on: February 11, 2019, 08:10:51 PM »
Hello,

Is it possible to somehow detect Al2Cu (C16) crystal structure in OVITO? I went through one of the discussion here, http://forum.ovito.org/index.php?topic=474.msg1811#msg1811 . But the problem with my structure is that it is most fcc AlCu, I have taken only 10 at% Cu, so when I try to select neighbour it is selecting most of the Al-Cu. Not able to differentiate Al2Cu precipitate. I have tried polyhydral templete matching and look into interatomic distances, elastic gradient, RMSD values but no luck. Is there any python code available ( I couldn't find any in the forum) that I can add the alloy type c16 in polyhydral templete matching? Any suggestion will be very helpful.