TY - CONF T1 - Geometrical Characteristics of Regular Polyhedra: Application to EXAFS Studies of Nanoclusters T2 - X-RAY ABSORPTION FINE STRUCTURE - XAFS13: 13th International Conference Y1 - 2007 A1 - Dana Dachman-Soled A1 - Frenkel, Anatoly I. KW - Atomic and molecular clusters KW - Cluster Analysis KW - Cluster geometric structure KW - Extended X-ray absorption fine structure spectroscopy KW - nanoparticles KW - Numerical modeling KW - Particle distribution functions KW - Polyhedra KW - Signal generators AB - EXAFS data modeling of nanoparticles can be done at a very high level of detail if regular polyhedral geometries are considered as possible structural models. Such geometries can be characterized by unique sequence of indices (coordination numbers) of the first few coordination shells that serve as a signature of a shape, size, morphology and packing model of atoms in the cluster. We wrote a suite of programs for cluster geometry generation and its pair radial distribution function analysis. The programs generate x,y,z coordinates and calculate the coordination numbers of the corresponding clusters for any order of a large number of regular polyhedra. We present the results for the first few nearest neighboring shells in the icosahedral, cuboctahedral, hcp structures for the small, 10–1000 atom clusters. JA - X-RAY ABSORPTION FINE STRUCTURE - XAFS13: 13th International Conference PB - AIP Publishing VL - 882 UR - http://scitation.aip.org/content/aip/proceeding/aipcp/10.1063/1.2644651 ER -