view article
Figure 13
TOPAS macro WPPM_SR_Sphere, a microstrain line broadening model for the surface relaxation in a monodisperse spherical nanocrystal. Note that, differently from the previous macros, TOPAS is set to perform the FT up to the particle diameter as maximum Fourier length: WPPM_L_max = 2*CeV(radioc, radiov). No stopping criterion is based on the values of the real or imaginary FT (the command WPPM_brake_on_small is not used). This is because in this case the real and imaginary strain FT components may be non-monotonic. For the exact definition of the functions meanDeltaL, meanDeltaL2 and so forth, see the supplementary information.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 51| Part 6| December 2018| Pages 1752-1765
https://doi.org/10.1107/S160057671801289X
Follow J. Appl. Cryst.
Sign up for e-alerts
E-alerts
Follow J. Appl. Cryst. on Twitter
Twitter
Follow us on facebook
Facebook
Sign up for RSS feeds
RSS