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Atomic pair distribution functions from textured polycrystalline samples: fundamentals
DOI:10.1107/S2053273325007387.png)
Abstract
En 中文
Equations for the reduced structure function and atomic pair distribution function (PDF) of a textured polycrystalline sample are formulated in terms of the orientational distribution function (ODF) and the structure function from a single crystallite. This ODF is sensitive to orientational distributions of interatomic vectors and to differentiate it from the crystallographic case we call it the bond orientational distribution function (BODF). This BODF may be obtained from experimental data when the structure of the reference crystallite is known. It can be applied to nanocrystalline and amorphous samples going beyond the information present in a conventional crystallographic texture study.
Keywords:
pair distribution function
PDF
crystallographic texture
preferred orientation
total scattering
nanostructure determination
orientation distribution function
ODF
bond orientation distribution function
BODF
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