Three-dimensional modeling for complex structures based on small-angle X-ray scattering

Three-dimensional real-space modeling for hierarchical materials by matching experimental and simulated small-angle X-ray scattering patterns is proposed. The positional arrangements of small primary particles in the cell are estimated by the reverse Monte Carlo modeling and the simulated SAXS patterns are derived from these models. This modeling has been applied to the structural estimation of a silica aerogel sample. The pore size distribution derived from the obtained structure model is compared to the results of the transmission electron microscopy and gas adsorption measurement.