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BibTeX file of [Abdullah16] [show it without abstract]

@article{Abdullah16, author={Malik Muhammad Abdullah and Zoltan Jurek and Sang-Kil Son and Robin Santra}, title={Calculation of x-ray scattering patterns from nanocrystals at high x-ray intensity}, journal={Struct. Dyn.}, volume={3}, pages={054101}, year={2016}, keywords={XATOM; XMDYN; XSINC; CFEL; DESY; x-ray scattering; x-ray diffraction; nanocrystal; molecular imaging;}, url={https://doi.org/10.1063/1.4958887}, doi={10.1063/1.4958887}, abstract={We present a generalized method to describe the x-ray scattering intensity of the Bragg spots in a diffraction pattern from nanocrystals exposed to intense x-ray pulses. Our method involves the subdivision of a crystal into smaller units. In order to calculate the dynamics within every unit, we employ a Monte-Carlo-molecular dynamics-\textit{ab-initio} hybrid framework using real space periodic boundary conditions. By combining all the units, we simulate the diffraction pattern of a crystal larger than the transverse x-ray beam profile, a situation commonly encountered in femtosecond nanocrystallography experiments with focused x-ray free-electron laser radiation. Radiation damage is not spatially uniform and depends on the fluence associated with each specific region inside the crystal. To investigate the effects of uniform and non-uniform fluence distribution, we have used two different spatial beam profiles, Gaussian and flattop.} }

Malik Muhammad Abdullah, Zoltan Jurek, Sang-Kil Son, and Robin Santra, Calculation of x-ray scattering patterns from nanocrystals at high x-ray intensity, Struct. Dyn. 3, 054101 (2016)

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[abstract]

doi:10.1063/1.4958887

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