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 2D-XRD 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.
