AES-Debye: an accurate, efficient and scalable engine for Debye scattering calculations

Panchi, N.; Kuckuk, S.; Wittmann, M.; Engel, M.; Leonardi, A.

doi:10.1107/S1600576726007429

Figure 4
Diffraction profiles for a Pd nanocube (side length 10 nm) with increasing Gaussian displacement noise σ, used to mimic thermal disorder. Increasing σ broadens and attenuates the Bragg peaks, consistent with increasing structural disorder. The high-frequency oscillations in the background are expected finite-sized features associated with the parallel facets of the cube and monodisperse size, rather than numerical artifacts.

JOURNAL OF
APPLIED
CRYSTALLOGRAPHY

ISSN: 1600-5767

Volume 59| Part 5| October 2026|

https://doi.org/10.1107/S1600576726007429

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