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Title: Simulations of X-ray diffraction of shock-compressed single-crystal tantalum with synchrotron undulator sources

Abstract

Polychromatic synchrotron undulator X-ray sources are useful for ultrafast single-crystal diffraction under shock compression. Here, simulations of X-ray diffraction of shock-compressed single-crystal tantalum with realistic undulator sources are reported, based on large-scale molecular dynamics simulations. Purely elastic deformation, elastic–plastic two-wave structure, and severe plastic deformation under different impact velocities are explored, as well as an edge release case. Transmission-mode diffraction simulations consider crystallographic orientation, loading direction, incident beam direction, X-ray spectrum bandwidth and realistic detector size. Diffraction patterns and reciprocal space nodes are obtained from atomic configurations for different loading (elastic and plastic) and detection conditions, and interpretation of the diffraction patterns is discussed.

Authors:
; ; ;
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Org.:
FOREIGN
OSTI Identifier:
1435819
Resource Type:
Journal Article
Journal Name:
Journal of Synchrotron Radiation (Online)
Additional Journal Information:
Journal Volume: 25; Journal Issue: 3; Journal ID: ISSN 1600-5775
Publisher:
International Union of Crystallography
Country of Publication:
United States
Language:
ENGLISH

Citation Formats

Tang, M. X., Zhang, Y. Y., E, J. C., and Luo, S. N. Simulations of X-ray diffraction of shock-compressed single-crystal tantalum with synchrotron undulator sources. United States: N. p., 2018. Web. doi:10.1107/S160057751800499X.
Tang, M. X., Zhang, Y. Y., E, J. C., & Luo, S. N. Simulations of X-ray diffraction of shock-compressed single-crystal tantalum with synchrotron undulator sources. United States. https://doi.org/10.1107/S160057751800499X
Tang, M. X., Zhang, Y. Y., E, J. C., and Luo, S. N. Tue . "Simulations of X-ray diffraction of shock-compressed single-crystal tantalum with synchrotron undulator sources". United States. https://doi.org/10.1107/S160057751800499X.
@article{osti_1435819,
title = {Simulations of X-ray diffraction of shock-compressed single-crystal tantalum with synchrotron undulator sources},
author = {Tang, M. X. and Zhang, Y. Y. and E, J. C. and Luo, S. N.},
abstractNote = {Polychromatic synchrotron undulator X-ray sources are useful for ultrafast single-crystal diffraction under shock compression. Here, simulations of X-ray diffraction of shock-compressed single-crystal tantalum with realistic undulator sources are reported, based on large-scale molecular dynamics simulations. Purely elastic deformation, elastic–plastic two-wave structure, and severe plastic deformation under different impact velocities are explored, as well as an edge release case. Transmission-mode diffraction simulations consider crystallographic orientation, loading direction, incident beam direction, X-ray spectrum bandwidth and realistic detector size. Diffraction patterns and reciprocal space nodes are obtained from atomic configurations for different loading (elastic and plastic) and detection conditions, and interpretation of the diffraction patterns is discussed.},
doi = {10.1107/S160057751800499X},
url = {https://www.osti.gov/biblio/1435819}, journal = {Journal of Synchrotron Radiation (Online)},
issn = {1600-5775},
number = 3,
volume = 25,
place = {United States},
year = {2018},
month = {4}
}