Trace phase detection and strain characterization from serial X-ray free-electron laser crystallography of a Pr

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

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

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.

Original language	English (US)
Journal	Powder Diffraction
Volume	761
DOIs	https://doi.org/10.1017/S0885715614001171
State	Published - Nov 17 2014

Keywords

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

ASJC Scopus subject areas

Radiation
Materials Science(all)
Instrumentation
Condensed Matter Physics

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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. (2014). Trace phase detection and strain characterization from serial X-ray free-electron laser crystallography of a Pr. Powder Diffraction, 761. 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 2014, 'Trace phase detection and strain characterization from serial X-ray free-electron laser crystallography of a Pr', Powder Diffraction, vol. 761. 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 Pr",

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 = "Key words nanocrystalline materials, X-ray free-electron lasers, manganite, 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: {\textcopyright} 2014 International Centre for Diffraction Data.",

year = "2014",

month = nov,

day = "17",

doi = "10.1017/S0885715614001171",

language = "English (US)",

volume = "761",

journal = "Powder Diffraction",

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TY - JOUR

T1 - Trace phase detection and strain characterization from serial X-ray free-electron laser crystallography of a Pr

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 - 2014/11/17

Y1 - 2014/11/17

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 - Key words nanocrystalline materials

KW - X-ray free-electron lasers

KW - manganite

KW - quantitative phase analysis

KW - serial crystallography

KW - strain characterization

KW - trace phase detection

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DO - 10.1017/S0885715614001171

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SN - 0885-7156

VL - 761

JO - Powder Diffraction

JF - Powder Diffraction

ER -

Trace phase detection and strain characterization from serial X-ray free-electron laser crystallography of a Pr

Abstract

Keywords

ASJC Scopus subject areas

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