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Description of program “Anaelu” for modeling 2D-XRD of textured samples

Anaelu user inputs the proposed crystal structure and texture parameters of the considered sample. The program displays several crystallographic features and predicts the two dimensional x-ray diffraction (2D-XRD) pattern.

Friendly unit cell input: The user enters the space group number, lattice parameters and asymmetric unit. “Anaelu” determines the coordinates of all the unit cell atoms and draws the unit cell and the stereographic projection.

Crystal diffraction: The user drags the mouse over the unit cell and the program rotates it, calculates in real time the corresponding stereographic projection and predicts the single-crystal 2DXRD spots.


Texture: The user chooses one or more preferred orientations. “Anaelu” generates the inverse pole figure (IPF), calculates all the necessary direct pole figures (PF) and finally models the XRD 2D pattern. The figure shows the IPF of a cubic sample with preferred {011} orientation, the calculated 2D-XRD and the intensity distribution (“arc cut”) along a Debye ring.

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