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DATAD : a Python‐based X‐ray diffraction simulation code for arbitrary texture and arbitrary deformation
Author(s) -
Huang J. W.,
Zhang Y. Y.,
Hu S. C.,
Cai Y.,
Luo S. N.
Publication year - 2021
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s1600576721000364
Subject(s) - planar , diffraction , python (programming language) , crystallite , detector , optics , texture (cosmology) , computer science , deformation (meteorology) , geometry , materials science , physics , computer graphics (images) , artificial intelligence , mathematics , image (mathematics) , composite material , operating system , metallurgy
DATAD , a Python‐based X‐ray diffraction simulation code, has been developed for simulating one‐ and two‐dimensional diffraction patterns of a polycrystalline specimen with an arbitrary texture under an arbitrary deformation state and an arbitrary detection geometry. Pixelated planar and cylindrical detectors can be used. The basic principles and key components of the code are presented along with the usage of DATAD . As validation and application cases, X‐ray diffraction patterns of single‐crystal and polycrystalline specimens with or without texture, or applied strain, on a planar or cylindrical detector are simulated.