DIANNA is a free software developed to simulate atomic models of structures for an ensemble of nanoparticles and to calculate their whole X-ray powder diffraction patterns and the radial distribution function. The main objects of investigation are the particles whose coherent scattering domains do not exceed several nm. DIANNA is based on the ab initio method using the Debye scattering equation. This method makes it possible to obtain information on the atomic structure, shape and size of nanoparticles. It can be applied also to non-periodic materials or coherently ordered nanostructures. Basic program features, methods and some examples are demonstrated.
|Number of pages||6|
|Journal||Zeitschrift fur Kristallographie - Crystalline Materials|
|Publication status||Published - 26 Jan 2018|
- Debye scattering equation
- Powder X-ray diffraction