Trace phase detection and strain characterization from serial X-ray free-electron laser crystallography of a Pr0.5Ca0.5MnO3 powder

Kenneth R. Beyerlein; Christian Jooss; Anton Barty; Richard Bean; Sébastien Boutet; Sarnjeet S. Dhesi; R. Bruce Doak; Michael Först; Lorenzo Galli; Richard Kirian; Joseph Kozak; Michael Lang; Roman Mankowsky; Marc Messerschmidt; John Spence; Dingjie Wang; Uwe Weierstall; Thomas A. White; Garth J. Williams; Oleksandr Yefanov; Nadia Zatsepin; Andrea Cavalleri; Henry N. Chapman

doi:10.1017/S0885715614001171

Trace phase detection and strain characterization from serial X-ray free-electron laser crystallography of a Pr_0.5Ca_0.5MnO₃ powder

Kenneth R. Beyerlein, Christian Jooss, Anton Barty, Richard Bean, Sébastien Boutet, Sarnjeet S. Dhesi, R. Bruce Doak, Michael Först, Lorenzo Galli, Richard Kirian, Joseph Kozak, Michael Lang, Roman Mankowsky, Marc Messerschmidt, John Spence, Dingjie Wang, Uwe Weierstall, Thomas A. White, Garth J. Williams, Oleksandr YefanovNadia Zatsepin, Andrea Cavalleri, Henry N. Chapman

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

3 Scopus citations

Abstract

We report on the analysis of virtual powder-diffraction patterns from serial femtosecond crystallography (SFX) data collected at an X-ray free-electron laser. Different approaches to binning and normalizing these patterns are discussed with respect to the microstructural characteristics which each highlights. Analysis of SFX data from a powder of Pr_0.5Ca_0.5MnO₃ in this way finds evidence of other trace phases in its microstructure which was not detectable in a standard powder-diffraction measurement. Furthermore, a comparison between two virtual powder pattern integration strategies is shown to yield different diffraction peak broadening, indicating sensitivity to different types of microstrain. This paper is a first step in developing new data analysis methods for microstructure characterization from serial crystallography data.

Original language	English (US)
Pages (from-to)	S25-S30
Journal	Powder Diffraction
Volume	30
DOIs	https://doi.org/10.1017/S0885715614001171
State	Published - Mar 3 2015

Keywords

X-ray free-electron lasers
manganite
nanocrystalline materials
quantitative phase analysis
serial crystallography
strain characterization
trace phase detection

ASJC Scopus subject areas

Radiation
General Materials Science
Instrumentation
Condensed Matter Physics

Access to Document

10.1017/S0885715614001171

Cite this

Beyerlein, K. R., Jooss, C., Barty, A., Bean, R., Boutet, S., Dhesi, S. S., Doak, R. B., Först, M., Galli, L., Kirian, R., Kozak, J., Lang, M., Mankowsky, R., Messerschmidt, M., Spence, J., Wang, D., Weierstall, U., White, T. A., Williams, G. J., ... Chapman, H. N. (2015). Trace phase detection and strain characterization from serial X-ray free-electron laser crystallography of a Pr_0.5Ca_0.5MnO₃ powder. Powder Diffraction, 30, S25-S30. https://doi.org/10.1017/S0885715614001171

Beyerlein, KR, Jooss, C, Barty, A, Bean, R, Boutet, S, Dhesi, SS, Doak, RB, Först, M, Galli, L, Kirian, R, Kozak, J, Lang, M, Mankowsky, R, Messerschmidt, M, Spence, J, Wang, D, Weierstall, U, White, TA, Williams, GJ, Yefanov, O, Zatsepin, N, Cavalleri, A & Chapman, HN 2015, 'Trace phase detection and strain characterization from serial X-ray free-electron laser crystallography of a Pr_0.5Ca_0.5MnO₃ powder', Powder Diffraction, vol. 30, pp. S25-S30. https://doi.org/10.1017/S0885715614001171

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title = "Trace phase detection and strain characterization from serial X-ray free-electron laser crystallography of a Pr0.5Ca0.5MnO3 powder",

abstract = "We report on the analysis of virtual powder-diffraction patterns from serial femtosecond crystallography (SFX) data collected at an X-ray free-electron laser. Different approaches to binning and normalizing these patterns are discussed with respect to the microstructural characteristics which each highlights. Analysis of SFX data from a powder of Pr0.5Ca0.5MnO3 in this way finds evidence of other trace phases in its microstructure which was not detectable in a standard powder-diffraction measurement. Furthermore, a comparison between two virtual powder pattern integration strategies is shown to yield different diffraction peak broadening, indicating sensitivity to different types of microstrain. This paper is a first step in developing new data analysis methods for microstructure characterization from serial crystallography data.",

keywords = "X-ray free-electron lasers, manganite, nanocrystalline materials, quantitative phase analysis, serial crystallography, strain characterization, trace phase detection",

author = "Beyerlein, {Kenneth R.} and Christian Jooss and Anton Barty and Richard Bean and S{\'e}bastien Boutet and Dhesi, {Sarnjeet S.} and Doak, {R. Bruce} and Michael F{\"o}rst and Lorenzo Galli and Richard Kirian and Joseph Kozak and Michael Lang and Roman Mankowsky and Marc Messerschmidt and John Spence and Dingjie Wang and Uwe Weierstall and White, {Thomas A.} and Williams, {Garth J.} and Oleksandr Yefanov and Nadia Zatsepin and Andrea Cavalleri and Chapman, {Henry N.}",

note = "Publisher Copyright: Copyright {\textcopyright} International Centre for Diffraction Data 2014.",

year = "2015",

month = mar,

day = "3",

doi = "10.1017/S0885715614001171",

language = "English (US)",

volume = "30",

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T1 - Trace phase detection and strain characterization from serial X-ray free-electron laser crystallography of a Pr0.5Ca0.5MnO3 powder

AU - Beyerlein, Kenneth R.

AU - Jooss, Christian

AU - Barty, Anton

AU - Bean, Richard

AU - Boutet, Sébastien

AU - Dhesi, Sarnjeet S.

AU - Doak, R. Bruce

AU - Först, Michael

AU - Galli, Lorenzo

AU - Kirian, Richard

AU - Kozak, Joseph

AU - Lang, Michael

AU - Mankowsky, Roman

AU - Messerschmidt, Marc

AU - Spence, John

AU - Wang, Dingjie

AU - Weierstall, Uwe

AU - White, Thomas A.

AU - Williams, Garth J.

AU - Yefanov, Oleksandr

AU - Zatsepin, Nadia

AU - Cavalleri, Andrea

AU - Chapman, Henry N.

PY - 2015/3/3

Y1 - 2015/3/3

N2 - We report on the analysis of virtual powder-diffraction patterns from serial femtosecond crystallography (SFX) data collected at an X-ray free-electron laser. Different approaches to binning and normalizing these patterns are discussed with respect to the microstructural characteristics which each highlights. Analysis of SFX data from a powder of Pr0.5Ca0.5MnO3 in this way finds evidence of other trace phases in its microstructure which was not detectable in a standard powder-diffraction measurement. Furthermore, a comparison between two virtual powder pattern integration strategies is shown to yield different diffraction peak broadening, indicating sensitivity to different types of microstrain. This paper is a first step in developing new data analysis methods for microstructure characterization from serial crystallography data.

AB - We report on the analysis of virtual powder-diffraction patterns from serial femtosecond crystallography (SFX) data collected at an X-ray free-electron laser. Different approaches to binning and normalizing these patterns are discussed with respect to the microstructural characteristics which each highlights. Analysis of SFX data from a powder of Pr0.5Ca0.5MnO3 in this way finds evidence of other trace phases in its microstructure which was not detectable in a standard powder-diffraction measurement. Furthermore, a comparison between two virtual powder pattern integration strategies is shown to yield different diffraction peak broadening, indicating sensitivity to different types of microstrain. This paper is a first step in developing new data analysis methods for microstructure characterization from serial crystallography data.

KW - X-ray free-electron lasers

KW - manganite

KW - nanocrystalline materials

KW - quantitative phase analysis

KW - serial crystallography

KW - strain characterization

KW - trace phase detection

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