TY - JOUR

T1 - DIANNA (diffraction analysis of nanopowders) - A software for structural analysis of nanosized powders

AU - Yatsenko, Dmitriy

AU - Tsybulya, Sergey

PY - 2018/1/26

Y1 - 2018/1/26

N2 - 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.

AB - 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.

KW - Debye scattering equation

KW - Nanocrystals

KW - Powder X-ray diffraction

KW - Software

UR - http://www.scopus.com/inward/record.url?scp=85040201841&partnerID=8YFLogxK

U2 - 10.1515/zkri-2017-2056

DO - 10.1515/zkri-2017-2056

M3 - Article

AN - SCOPUS:85040201841

VL - 233

SP - 61

EP - 66

JO - Zeitschrift fur Kristallographie - Crystalline Materials

JF - Zeitschrift fur Kristallographie - Crystalline Materials

SN - 2194-4946

IS - 1

ER -