Concurrent multi-peak Bragg coherent x-ray diffraction imaging of 3D nanocrystal lattice displacement via global optimization

نویسندگان

چکیده

Abstract In this paper we demonstrated a method to reconstruct vector-valued lattice distortion fields within nanoscale crystals by optimization of forward model multi-reflection Bragg coherent diffraction imaging (MR-BCDI) data. The flexibly accounts for geometric factors that arise when making BCDI measurements, is amenable efficient inversion with modern toolkits, and allows globally constraining single image reconstruction multiple peak measurements. This enabled emulates the peaks MR-BCDI experiment from estimate 3D crystal sample. We present model, implement it stochastic gradient descent framework, demonstrate simulated experimental data nanocrystals inhomogeneous internal displacement. find utilizing global approach affords reliable path convergence which otherwise challenging reconstruct.

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ژورنال

عنوان ژورنال: npj computational materials

سال: 2023

ISSN: ['2057-3960']

DOI: https://doi.org/10.1038/s41524-023-01022-7