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...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2024-02-01
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| Series: | npj Computational Materials |
| Online Access: | https://doi.org/10.1038/s41524-024-01230-9 |