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

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Figure 3

Edge dislocation in a 30 × 30 × 30 nm copper crystal. (a) and (c) u_x component of the atomic displacement field for both initial and relaxed configurations. (b) and (d) Perfect edge dislocation with b = $[\textstyle{1 \over 2}]$ [ $[1 {\overline 1} 0]$ ] and t = [ $[1 1{\overline 2} ]$ ] and dissociation of the perfect dislocation into two Shockley partials in the (111) plane. Only the defect, edge and corner atoms are shown. Calculated CXD pattern for a perfect (e) and dissociated (f) dislocations. (g) Intensity along [111] for perfect and dissociated dislocations (log scale) with g·b = 0 and g·(b × t) = 0 (g = $[2 2 {\overline 4}]$ ). Perfect (h) and dissociated dislocations (i) and intensity along [111] for both cases (j) with g·b = 0 and g·(b × t) ≠ 0 (g = 224). Perfect (k) and dissociated dislocations (l) and intensity along [111] for a defect-free crystal and dissociated dislocation (log scale) (m) with g||b (g = $[2 {\overline 2} 0]$ ). Perfect (n) and dissociated dislocations (o) and intensity along [111] for both cases (p) with g·b_p (g = $[2 {\overline 4} 2]$ ). The selected 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

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CRYSTALLOGRAPHY

ISSN: 1600-5767

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

https://doi.org/10.1107/S1600576715005324

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