Interference (cross-correlation) effects are present in the X-ray powder diffraction pattern of a polycrystalline aggregate. In an experimental diffraction pattern, the information is highly overlapped and can be confused with other effects. In this article, it is shown that the analysis of the patterns calculated from a cluster equilibrated via molecular dynamics simulation allows those effects to be separated. Extra intensity is observed, because of the presence of the grain boundaries contribution which is unexpectedly not that of an amorphous phase.

Interference Effects in Nanocrystalline Systems

Leonardi, Alberto;Leoni, Matteo;Scardi, Paolo
2013-01-01

Abstract

Interference (cross-correlation) effects are present in the X-ray powder diffraction pattern of a polycrystalline aggregate. In an experimental diffraction pattern, the information is highly overlapped and can be confused with other effects. In this article, it is shown that the analysis of the patterns calculated from a cluster equilibrated via molecular dynamics simulation allows those effects to be separated. Extra intensity is observed, because of the presence of the grain boundaries contribution which is unexpectedly not that of an amorphous phase.
2013
Leonardi, Alberto; Leoni, Matteo; Scardi, Paolo
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11572/96375
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