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In Acta crystallographica. Section A, Foundations and advances ; h5-index 0.0

A novel data-driven approach is proposed for analyzing synchrotron Laue X-ray microdiffraction scans based on machine learning algorithms. The basic architecture and major components of the method are formulated mathematically. It is demonstrated through typical examples including polycrystalline BaTiO3, multiphase transforming alloys and finely twinned martensite. The computational pipeline is implemented for beamline 12.3.2 at the Advanced Light Source, Lawrence Berkeley National Laboratory. The conventional analytical pathway for X-ray diffraction scans is based on a slow pattern-by-pattern crystal indexing process. This work provides a new way for analyzing X-ray diffraction 2D patterns, independent of the indexing process, and motivates further studies of X-ray diffraction patterns from the machine learning perspective for the development of suitable feature extraction, clustering and labeling algorithms.

Song Yintao, Tamura Nobumichi, Zhang Chenbo, Karami Mostafa, Chen Xian


PCA labeler, data-driven analysis, property maps, synchrotron X-ray microdiffraction, unsupervised learning