Integrated analysis of X-ray diffraction patterns and pair distribution functions for machine-learned phase identification

Integrated analysis of X-ray diffraction patterns and pair distribution functions for machine-learned phase identification

Abstract To bolster the accuracy of existing methods for automated phase identification from X-ray diffraction (XRD) patterns, we introduce a machine learning approach that uses a dual representation whereby XRD patterns are augmented with simulated pair distribution functions (PDFs). A convolutiona...

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Bibliographic Details
Main Authors: Nathan J. Szymanski, Sean Fu, Ellen Persson, Gerbrand Ceder
Format: Article
Language:English
Published: Nature Portfolio 2024-02-01
Series:npj Computational Materials
Online Access:https://doi.org/10.1038/s41524-024-01230-9

Internet

https://doi.org/10.1038/s41524-024-01230-9

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