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Efficient solution of particle shape functions for the analysis of powder total scattering data

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Particle shape functions are necessary to model powder scattering data that are in the form of intensity profiles and pair distribution functions. Here, an efficient method is presented to compute… Click to show full abstract

Particle shape functions are necessary to model powder scattering data that are in the form of intensity profiles and pair distribution functions. Here, an efficient method is presented to compute particle shape functions by orientational averaging of common volume functions. Contributions from particle size and size dispersity are accounted for via scaling and convolution.

Keywords: scattering data; shape functions; powder; particle shape

Journal Title: Journal of Applied Crystallography
Year Published: 2022

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