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X-Ray Characterization of Nanomaterials
Roman Pielaszek1>2l Stanisław Gier lotka1*, Ewa Grzanka1,2*
Svetlana Stelmakh1* and Bogdan Palosz1*
1) High Pressure Research Center, Polish Academy of Sciences, ul.Sokołowska 29, Warsaw, POLAND
2) University of Warsaw, Department of Physics, ul.Hoża 69, Warsaw, POLAND
Abstract
One of most generał diffraction laws, Debye formula, allows to calculate X-Ray powder diffraction pattern of any cłu ster of atoms, with no additional assumptions ab out its structure, ordering and composition.
Calculation power of nowadays computers enable such a 'ab initio1 diffraction simulations for clusters as large as several hundred A in diameter, fairly covering scalę of nanomaterials.
Population of atomie models (clusters) of SiC, GaN or diamond n ano ery stal s used for diffraction simulations we equip with various grain size distributions, distributions of stacking faults, shape anisotropies, surface strains, bulk strains or a combination of above. Genetic Algorithm (GA) survives the fittest individual model, with compliance to experimental data as a fitness function.
Examples of X-Ray-based characterization achievements are presented.
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