Simulation of small-angle scattering patterns via a Monte-Carlo technique.

Abstract

Small angle scattering (SAS) is sensitive to morphology on the nanometer length scale but data analysis can be somewhat difficult. Analytical models exist to analyze SAS data but some morphologies do not have realistic analytical models. In order to better utilize this technique of probing microstructure, computer programs have been developed to calculate scattering patterns from single particles via a Monte-Carlo method. These scattering objects can have arbitrary shapes and orientations and can also have more than one electron density. The programs are based on x-ray diffraction first principles and require only that the scattering objects are centrosymmetric.

Dense multiple particle systems are much more difficult to model because inter-particle interference must be considered. Additionally, more information can be obtained from oriented systems if the simulated scattering curves are not rotationally averaged. Thus, a technique is proposed to generate non-rotationally averaged scattering curves for dense multiple particle systems based on the Liquid-Like Debye Method.