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Figure 2
Schematics indicate the full simulation process to obtain the QS(110) generated at each scanning point. For simplification, only 3 × 3 voxels are shown here to represent the full sample. (a) Each sample voxel (Vj) contains a group of nanofibres of certain 3D orientations, which leads to (b) 3D intensity distribution of corresponding [{\rm QS}\left({110} \right)_j^{\rm s}] reciprocal spheres in the sample coordinate system. (c) The obtained [I_{i,\varphi }^{\rm L}({q_x},{q_y},{q_z})] for each scanning point varies due to the accumulation of different voxel combinations along the beam path i at different rotation angles φ (left: φ = 0°; right: φ = 90°). [I_{j,\varphi }^{\rm L}({q_x},{q_y},{q_z})] represents the 3D intensity distribution of [{\rm QS}\left({110} \right)_{j,\varphi }^{\rm L}] for each voxel in the laboratory coordinate system. (d2) A simulated 2D WAXD pattern of (110) reflection is acquired from the intersection plane between the accumulated [{\rm QS}\left({110} \right)_{i,\varphi }^{\rm L}] [[I_{i,\varphi }^{\rm L}({q_x},{q_y},{q_z})]] and (d1) the Ewald sphere. (d3) The full 3D intensity distribution [I_{i,\varphi }^{{{\rm L}_f}}({q_x},{q_y},{q_z})] on the [{\rm QS}\left({110} \right)_{i,\varphi }^{{{\rm L}_f}}] of each scanning point is retrieved via a fitting process using our mathematical model.

IUCrJ
Volume 11| Part 4| July 2024|
ISSN: 2052-2525
https://doi.org/10.1107/S2052252524003750