We present simulations of Bragg Coherent X-ray Diffractive Imaging (CXDI) data from finite crystals in the frame of the dynamical theory of x-ray diffraction. The developed approach is based on numerical solution of modified Takagi-Taupin equations and can be applied for modeling of a broad range of x-ray diffraction experiments with finite three-dimensional crystals of arbitrary shape also in the presence of strain. We performed simulations for nanocrystals of a cubic and hemispherical shape of different sizes and provided a detailed analysis of artifacts in the Bragg CXDI reconstructions introduced by the dynamical diffraction. A convenient way to treat effects of refraction and absorption supported by analytical derivations is described. Our results elucidate limitations for the kinematical approach in the Bragg CXDI and suggest a natural criterion to distinguish between kinematical and dynamical cases in coherent x-ray diffraction on a finite crystal.
@article{arxiv.1703.04100,
title = {Dynamical effects in Bragg coherent x-ray diffraction imaging on finite crystals},
author = {A. G. Shabalin and O. M. Yefanov and V. L. Nosik and V. A. Bushuev and I. A. Vartanyants},
journal= {arXiv preprint arXiv:1703.04100},
year = {2017}
}