Machine learning-assisted close-set X-ray diffraction phase identification of transition metalsDownload PDF

Published: 17 Mar 2023, Last Modified: 21 Apr 2023ml4materials-iclr2023 PosterReaders: Everyone
Keywords: machine learning, material science, x-ray diffraction, phase identification
TL;DR: Close-set XRD phase identification of transtion metals based on statistical properties and machine learning
Abstract: Machine learning has been applied to the problem of X-ray diffraction phase prediction with promising results. In this paper, we describe a method for using machine learning to predict crystal structure phases from X-ray diffraction data of transition metals and their oxides. We evaluate the performance of our method and compare the variety of its settings. Our results demonstrate that the proposed machine learning framework achieves competitive performance. This demonstrates the potential for machine learning to significantly impact the field of X-ray diffraction and crystal structure determination.
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