New Approach to Determine Atomic Arrangement in Materials

RTNN researchers at NC State University have published an article describing a new way to determine how atoms are arranged in materials. The work, “Use of Bayesian Inference in Crystallographic Structure Refinement via Full Diffraction Profile Analysis” published in Scientific Reports describes the application of Bayesian statistical methods to X-ray diffraction patterns. This method allows researchers to characterize and better estimate the variability in a material’s atomic structure. The technique is under development for use with spectra collected from other analytical tools like X-ray photoelectron spectroscopy. This tool-set will inform the development of materials for a variety of novel applications.

A press release describing the work can be found here. The article in its entirety can be found here.


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