Open AccessSimulations of X‐ray diffraction of shock‐compressed single‐crystal tantalum with synchrotron undulator sources
Author(s) -
Tang M. X.,
Zhang Y. Y.,
E J. C.,
Luo S. N.
Publication year - 2018
Publication title -
journal of synchrotron radiation
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.172
H-Index - 99
ISSN - 1600-5775
DOI - 10.1107/s160057751800499x
Subject(s) - undulator , tantalum , synchrotron , diffraction , synchrotron radiation , materials science , x ray , x ray crystallography , single crystal , crystallography , optics , physics , chemistry , beam (structure) , metallurgy
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.