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Figure 7
Modeling the scattering profiles from polyatomic nanocrystals. (a)–(e) Disorder-to-order phase transition of (a) and (c) b.c.c. Pd–Cu and (b) and (d) f.c.c. Au–Cu. (a), (b) Intensity profiles from powders of random alloy and intermetallic 22 nm cubic nanocrystals. (c), (d) Intensity-profile transformation as a function of the fraction of random versus ordered species in the unit structure (the transition is plotted using a quadratic scale). Note that the unit-cell parameter was fixed over the phase transformation. (e) Atom-species arrangement in the random alloy and intermetallic end-members crystal structures. (f), (g) Intensity profiles from powders of kaolinite nanocrystals with hexagonal-prism shape and height equal to the side-to-side distance. Profiles from powders with (f) monodisperse crystal size are compared with a powder with (g) lognormal size distribution (mean = 15 nm and s.d. = 2 nm).

IUCrJ
Volume 8| Part 2| March 2021| Pages 257-269
ISSN: 2052-2525
https://doi.org/10.1107/S2052252521000324