Signature of dislocations and stacking faults of face-centred cubic nanocrystals in coherent X-ray diffraction patterns: a numerical study

Dupraz, M.; Beutier, G.; Rodney, D.; Mordehai, D.; Verdier, M.

doi:10.1107/S1600576715005324

Figure 2
Screw dislocation in a 30 × 30 × 30 nm copper crystal with Wulff geometry. (a) and (c) The colour scale shows the u_x component of the atomic displacement field for both initial and relaxed configurations. (b) and (d) Perfect screw dislocation with b = $[\textstyle{1\over2}]$ [ $[1 {\overline 1} 0]$ ] and dissociation of the perfect dislocation in two sets of Shockley partials in the (111) and ( $[1 1 {\overline 1}]$ ) planes. Only the defect, edge and corner atoms are shown. Calculated CXD patterns with g·b = 0 (g = $[2 2 {\overline 4}]$ ) for a perfect (e) and dissociated dislocations (f). (g) Intensity along [111] (log scale). Calculated CXD patterns with g||b (g = $[2 {\overline 2} 0]$ ) for a perfect (h) and dissociated dislocations (i). (j) Intensity along [001]. Perfect (k) and dissociated dislocations (l) and intensity along [001] (m) with g||b_p (g = $[2 {\overline 4} 2]$ ). Perfect (n) and dissociated dislocations (o) and intensity (p) along [110] for general g (g = 200). The area of the reciprocal space is kept to the same value in all figures and is equal to 0.045 × 0.0675 Å⁻¹.

JOURNAL OF
APPLIED
CRYSTALLOGRAPHY

ISSN: 1600-5767

Volume 48| Part 3| June 2015| Pages 621-644

https://doi.org/10.1107/S1600576715005324

Open

access

Search IUCr Journals		doi		Advanced search
Author		volume	page