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Title: Data-driven approach for synchrotron X-ray Laue microdiffraction scan analysis

Abstract

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. Here, 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.

Authors:
 [1];  [2];  [3];  [3]; ORCiD logo [3]
  1. Independent researcher, Foster City, CA (United States)
  2. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)
  3. Hong Kong Univ. of Science and Technology (Hong Kong)
Publication Date:
Research Org.:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1580410
Grant/Contract Number:  
AC02-05CH11231; 16207017; 26200316
Resource Type:
Accepted Manuscript
Journal Name:
Acta Crystallographica. Section A, Foundations and Advances (Online)
Additional Journal Information:
Journal Name: Acta Crystallographica. Section A, Foundations and Advances (Online); Journal Volume: 75; Journal Issue: 6; Journal ID: ISSN 2053-2733
Publisher:
International Union of Crystallography
Country of Publication:
United States
Language:
English
Subject:
42 ENGINEERING; synchrotron X-ray microdiffraction; data-driven analysis; PCA labeler; unsupervised learning; property maps

Citation Formats

Song, Yintao, Tamura, Nobumichi, Zhang, Chenbo, Karami, Mostafa, and Chen, Xian. Data-driven approach for synchrotron X-ray Laue microdiffraction scan analysis. United States: N. p., 2019. Web. doi:10.1107/s2053273319012804.
Song, Yintao, Tamura, Nobumichi, Zhang, Chenbo, Karami, Mostafa, & Chen, Xian. Data-driven approach for synchrotron X-ray Laue microdiffraction scan analysis. United States. https://doi.org/10.1107/s2053273319012804
Song, Yintao, Tamura, Nobumichi, Zhang, Chenbo, Karami, Mostafa, and Chen, Xian. Tue . "Data-driven approach for synchrotron X-ray Laue microdiffraction scan analysis". United States. https://doi.org/10.1107/s2053273319012804. https://www.osti.gov/servlets/purl/1580410.
@article{osti_1580410,
title = {Data-driven approach for synchrotron X-ray Laue microdiffraction scan analysis},
author = {Song, Yintao and Tamura, Nobumichi and Zhang, Chenbo and Karami, Mostafa and Chen, Xian},
abstractNote = {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. Here, 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.},
doi = {10.1107/s2053273319012804},
journal = {Acta Crystallographica. Section A, Foundations and Advances (Online)},
number = 6,
volume = 75,
place = {United States},
year = {Tue Oct 29 00:00:00 EDT 2019},
month = {Tue Oct 29 00:00:00 EDT 2019}
}

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Works referenced in this record:

Variational inference for Dirichlet process mixtures
journal, March 2006

  • Blei, David M.; Jordan, Michael I.
  • Bayesian Analysis, Vol. 1, Issue 1
  • DOI: 10.1214/06-BA104

A dendrite method for cluster analysis
journal, January 1974

  • Calinski, T.; Harabasz, J.
  • Communications in Statistics - Theory and Methods, Vol. 3, Issue 1
  • DOI: 10.1080/03610927408827101

Quantitative microstructural imaging by scanning Laue x-ray micro- and nanodiffraction
journal, June 2016

  • Chen, Xian; Dejoie, Catherine; Jiang, Tengfei
  • MRS Bulletin, Vol. 41, Issue 6
  • DOI: 10.1557/mrs.2016.97

Reducing the Dimensionality of Data with Neural Networks
journal, July 2006


Extracting Grain Orientations from EBSD Patterns of Polycrystalline Materials Using Convolutional Neural Networks
journal, October 2018

  • Jha, Dipendra; Singh, Saransh; Al-Bahrani, Reda
  • Microscopy and Microanalysis, Vol. 24, Issue 5
  • DOI: 10.1017/S1431927618015131

Automated defect analysis in electron microscopic images
journal, July 2018


A survey on deep learning in medical image analysis
journal, December 2017


Least squares quantization in PCM
journal, March 1982


Recent advances in techniques for hyperspectral image processing
journal, September 2009

  • Plaza, Antonio; Benediktsson, Jon Atli; Boardman, Joseph W.
  • Remote Sensing of Environment, Vol. 113
  • DOI: 10.1016/j.rse.2007.07.028

Silhouettes: A graphical aid to the interpretation and validation of cluster analysis
journal, November 1987


Learning representations by back-propagating errors
journal, October 1986

  • Rumelhart, David E.; Hinton, Geoffrey E.; Williams, Ronald J.
  • Nature, Vol. 323, Issue 6088
  • DOI: 10.1038/323533a0

Image processing of multiphase images obtained via X-ray microtomography: A review
journal, April 2014

  • Schlüter, Steffen; Sheppard, Adrian; Brown, Kendra
  • Water Resources Research, Vol. 50, Issue 4
  • DOI: 10.1002/2014WR015256

Scanning X-ray microdiffraction with submicrometer white beam for strain/stress and orientation mapping in thin films
journal, February 2003

  • Tamura, N.; MacDowell, A. A.; Spolenak, R.
  • Journal of Synchrotron Radiation, Vol. 10, Issue 2
  • DOI: 10.1107/S0909049502021362

A new white beam x-ray microdiffraction setup on the BM32 beamline at the European Synchrotron Radiation Facility
journal, March 2011

  • Ulrich, O.; Biquard, X.; Bleuet, P.
  • Review of Scientific Instruments, Vol. 82, Issue 3
  • DOI: 10.1063/1.3555068

Towards clinically actionable digital phenotyping targets in schizophrenia
journal, May 2020


A Dendrite Method for Cluster Analysis
journal, January 1974

  • Calinski, T.; Harabasz, J.
  • Communications in Statistics - Simulation and Computation, Vol. 3, Issue 1
  • DOI: 10.1080/03610917408548446

A Survey on Deep Learning in Medical Image Analysis
text, January 2017


Silhouettes: A graphical aid to the interpretation and validation of cluster analysis
journal, November 1987


A Dendrite Method for Cluster Analysis
journal, January 1974

  • Calinski, T.; Harabasz, J.
  • Communications in Statistics - Simulation and Computation, Vol. 3, Issue 1
  • DOI: 10.1080/03610917408548446

Image-based crystal detection: a machine-learning approach
journal, November 2008

  • Liu, Roy; Freund, Yoav; Spraggon, Glen
  • Acta Crystallographica Section D Biological Crystallography, Vol. 64, Issue 12
  • DOI: 10.1107/s090744490802982x

Classification of crystal structure using a convolutional neural network
journal, June 2017


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Broadband near-infrared (NIR) emission realized by the crystal-field engineering of Y 3−x Ca x Al 5−x Si x O 12 :Cr 3+ ( x = 0–2.0) garnet phosphors
journal, January 2020

  • Mao, Minqian; Zhou, Tianliang; Zeng, Huatao
  • Journal of Materials Chemistry C, Vol. 8, Issue 6
  • DOI: 10.1039/c9tc05775g