Turning the Debye Function into an Efficient Total Scattering Tool

The Debye Function method has been reviewed and turned into an efficient tool for characterizing nanocrystalline materials via Powder Diffraction Data and Total Scattering modeling. The new approach is implemented in a suite of programs able to: i) building up atomistic NCs models of different shapes and growing size; ii) constructing sampled distances databases relying on suitable algorithms and iii) providing whole pattern simulation/optimization taking structure, size and strain distributions into account.