Bayesian Inference of Nanoparticle-Broadened X-Ray Line Profiles

纳米颗粒展宽X射线谱线轮廓的贝叶斯推断

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Abstract

A single-step, self-contained method for determining the crystallite-size distribution and shape from experimental x-ray line profile data is presented. It is shown that the crystallite-size distribution can be determined without invoking a functional form for the size distribution, determining instead the size distribution with the least assumptions by applying the Bayesian/MaxEnt method. The Bayesian/MaxEnt method is tested using both simulated and experimental CeO2 data, the results comparing favourably with experimental CeO2 data from TEM measurements.

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