DATAD: a Python‐based X‐ray diffraction simulation code for arbitrary texture and arbitrary deformation. Issue 2 (3rd March 2021)

• Record Type: Journal Article
• Authors: Huang, J. W.; Zhang, Y. Y.; Hu, S. C.; Cai, Y.; Luo, S. N.
• Is Part Of: Journal of applied crystallography. Volume 54:Issue 2(2021)
• Page Start: 686
• Page End: 696
• Publication Date: 2021-03-03
• Subjects: X‐ray diffraction simulation -- polycrystalline specimens -- texture -- strain; Crystallography -- Periodicals; 548.05
• DOI: 10.1107/S1600576721000364
• Languages: English
• ISSNs: 0021-8898

Abstract

Abstract : 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 Abstract : 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.