Numerical simulation of small angle scattering (SAXS) for large atomic clusters

Abstract

In the context of direct imaging of single nanoparticles, we discuss strategies for simulation of the small angle X-ray scattering (SAXS) of nanoparticles, propose a new scalar numerical approach applicable to arbitrary collections of atoms and compare it to the existing alternatives, both scalar and vector. The simulations are also compared with SAXS experimental data obtained recently at the FLASH FEL in Hamburg ( λ FEL 32 nm), demonstrating the direct evaluation of size for very large Argon clusters with a single FEL pulse.