Topological validation of morphology modeling by extended reverse Monte Carlo analysis
Katsumi Hagita, Takashi Teramoto · Physical Review E · 2008
A combination of reverse Monte Carlo (RMC) and computational homology is examined as a useful approach in connecting scattering experiments to mathematics for 3D morphology modeling. We develop a different method of morphology modeling from multiple two-dimensional (2D) scattering patterns of structure functions by RMC technique using coarse-grained particles. We perform RMC analysis for multiple 2D scattering patterns of the configuration generated from the surface equation of double gyroid morphology. Homology analysis enables us to classify complex three-dimensional morphologies by incorporating topologically invariant quantities, the so-called Betti numbers. It is demonstrated that RMC analysis reconstructs the DG morphology from multiple 2D scattering patterns.