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Diffraction /PDF pattern of isolated nanoparticle?
rowlesmr #1
Member since Oct 2011 · 172 posts
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Subject: Diffraction /PDF pattern of isolated nanoparticle?
Can I use Topas to calculate a diffraction pattern of an isolated nanoparticle?

ie feed in a couple hundred atoms and get back a diffraction pattern.

or should I go for a more debye equation solution?


I seem to recall Phil Chater calculating the PDF of the NaCl model at IUCr last year...


Matthew
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Matthew
AlanCoelho #2
Member since Aug 2011 · 247 posts
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Yes, simply make the unit cell big
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