Cluster Analysis of Combined EDS and EBSD Data to Solve Ambiguous Phase Identifications

Chad M. Parish

doi:10.1017/S1431927622000010

Cluster Analysis of Combined EDS and EBSD Data to Solve Ambiguous Phase Identifications

Chad M. Parish

Nuclear Energy Materials Microanalysis

Research output: Contribution to journal › Article › peer-review

7 Scopus citations

Abstract

A common problem in analytical scanning electron microscopy (SEM) using electron backscatter diffraction (EBSD) is the differentiation of phases with distinct chemistry but the same or very similar crystal structure. X-ray energy dispersive spectroscopy (EDS) is useful to help differentiate these phases of similar crystal structures but different elemental makeups. However, open, automated, and unbiased methods of differentiating phases of similar EBSD responses based on their EDS response are lacking. This paper describes a simple data analytics-based method, using a combination of singular value decomposition and cluster analysis, to merge simultaneously acquired EDS + EBSD information and automatically determine phases from both their crystal and elemental data. I use hexagonal TiB2 ceramic contaminated with multiple crystallographically ambiguous but chemically distinct cubic phases to illustrate the method. Code, in the form of a Python 3 Jupyter Notebook, and the necessary data to replicate the analysis are provided as Supplementary material.

Original language	English
Pages (from-to)	371-382
Number of pages	12
Journal	Microscopy and Microanalysis
Volume	28
Issue number	2
DOIs	https://doi.org/10.1017/S1431927622000010
State	Published - Apr 18 2022

Funding

The author thanks to Dr. Hanns Gietl and Dr. John Echols, ORNL, for critiquing the manuscript. This manuscript has been authored by UT-Battelle, LLC under Contract No. DE-AC05-00OR22725 with the U.S. Department of Energy. The United States Government retains and the publisher, by accepting the article for publication, acknowledges that the United States Government retains a non-exclusive, paid-up, irrevocable, worldwide license to publish or reproduce the published form of this manuscript, or allow others to do so, for United States Government purposes. The Department of Energy will provide public access to these results of federally sponsored research in accordance with the DOE Public Access Plan ( http://energy.gov/downloads/doe-public-access-plan ). Sample courtesy G. Hilmas & W. Fahrenholtz, Missouri University of Science and Technology. This work was supported by US Department of Energy, Office of Science, Fusion Energy Sciences, under contract number DE-AC05-00OR22725.

Funders	Funder number
U.S. Department of Energy
Office of Science
Fusion Energy Sciences	DE-AC05-00OR22725

Keywords

EBSD
EDS
data analysis
data analytics

Access to Document

10.1017/S1431927622000010

Cite this

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title = "Cluster Analysis of Combined EDS and EBSD Data to Solve Ambiguous Phase Identifications",

abstract = "A common problem in analytical scanning electron microscopy (SEM) using electron backscatter diffraction (EBSD) is the differentiation of phases with distinct chemistry but the same or very similar crystal structure. X-ray energy dispersive spectroscopy (EDS) is useful to help differentiate these phases of similar crystal structures but different elemental makeups. However, open, automated, and unbiased methods of differentiating phases of similar EBSD responses based on their EDS response are lacking. This paper describes a simple data analytics-based method, using a combination of singular value decomposition and cluster analysis, to merge simultaneously acquired EDS + EBSD information and automatically determine phases from both their crystal and elemental data. I use hexagonal TiB2 ceramic contaminated with multiple crystallographically ambiguous but chemically distinct cubic phases to illustrate the method. Code, in the form of a Python 3 Jupyter Notebook, and the necessary data to replicate the analysis are provided as Supplementary material.",

keywords = "EBSD, EDS, data analysis, data analytics",

author = "Parish, {Chad M.}",

note = "Publisher Copyright: Copyright {\textcopyright} The Author(s), 2022. Published by Cambridge University Press on behalf of the Microscopy Society of America.",

year = "2022",

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doi = "10.1017/S1431927622000010",

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T1 - Cluster Analysis of Combined EDS and EBSD Data to Solve Ambiguous Phase Identifications

AU - Parish, Chad M.

PY - 2022/4/18

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N2 - A common problem in analytical scanning electron microscopy (SEM) using electron backscatter diffraction (EBSD) is the differentiation of phases with distinct chemistry but the same or very similar crystal structure. X-ray energy dispersive spectroscopy (EDS) is useful to help differentiate these phases of similar crystal structures but different elemental makeups. However, open, automated, and unbiased methods of differentiating phases of similar EBSD responses based on their EDS response are lacking. This paper describes a simple data analytics-based method, using a combination of singular value decomposition and cluster analysis, to merge simultaneously acquired EDS + EBSD information and automatically determine phases from both their crystal and elemental data. I use hexagonal TiB2 ceramic contaminated with multiple crystallographically ambiguous but chemically distinct cubic phases to illustrate the method. Code, in the form of a Python 3 Jupyter Notebook, and the necessary data to replicate the analysis are provided as Supplementary material.

AB - A common problem in analytical scanning electron microscopy (SEM) using electron backscatter diffraction (EBSD) is the differentiation of phases with distinct chemistry but the same or very similar crystal structure. X-ray energy dispersive spectroscopy (EDS) is useful to help differentiate these phases of similar crystal structures but different elemental makeups. However, open, automated, and unbiased methods of differentiating phases of similar EBSD responses based on their EDS response are lacking. This paper describes a simple data analytics-based method, using a combination of singular value decomposition and cluster analysis, to merge simultaneously acquired EDS + EBSD information and automatically determine phases from both their crystal and elemental data. I use hexagonal TiB2 ceramic contaminated with multiple crystallographically ambiguous but chemically distinct cubic phases to illustrate the method. Code, in the form of a Python 3 Jupyter Notebook, and the necessary data to replicate the analysis are provided as Supplementary material.

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DO - 10.1017/S1431927622000010

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JO - Microscopy and Microanalysis

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Cluster Analysis of Combined EDS and EBSD Data to Solve Ambiguous Phase Identifications

Abstract

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Keywords

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Combined EDS and EBSD dataset from TiB2 ceramic material

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Cluster Analysis of Combined EDS and EBSD Data to Solve Ambiguous Phase Identifications

Abstract

Funding

Keywords

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Other files and links

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Datasets

Combined EDS and EBSD dataset from TiB2 ceramic material

Cite this