Analysis of Phase Composition and CSR Sizes in Non-Equilibrium Nanostructured Systems Fe-Co and Ni-Cu Using Diffraction Maxima Simulations in a Doublet Radiation

The paper addresses the problem of determining phase composition, composition of mixed phases, and the CSR size in structurally similar metal systems where the most part of similar reflections of two phases overlap with each other. The overall experimental diffraction profile of overlapping reflecti...

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Bibliographic Details
Published in:Journal of structural chemistry 2020-06, Vol.61 (6), p.994-1000
Main Authors: Zakharov, Yu. A., Pugachev, V. M., Korchuganova, K. A., Ponomarchuk, Yu. V., Larichev, T. A.
Format: Article
Language:English
Subjects:
Atomic
Atomic/Molecular Structure and Spectra
Chemistry
Chemistry and Materials Science
Cobalt
Computer simulation
Convolution
Copper
Diffraction
Inorganic Chemistry
Iron
Molecular
Nickel
Optical and Plasma Physics
Parameter identification
Phase composition
Phases
Physical Chemistry
Solid State Physics
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Summary:The paper addresses the problem of determining phase composition, composition of mixed phases, and the CSR size in structurally similar metal systems where the most part of similar reflections of two phases overlap with each other. The overall experimental diffraction profile of overlapping reflections is decomposed into components by simulation techniques. The profile of each individual reflection is calculated as the convolution of the broadening function (in the form of the Pearson VII distribution with refined parameters) and an instrumental doublet function that is measured on a reference substance with a sufficiently large CSR size, shifted by an appropriate angle, and adapted to this position. As a result, parameters of profile components were identified and further used to determine phase compositions and compositions of mixed phases in nonequilibrium systems Fe-Co and Ni-Cu as well as the dependence of the CSR size on system’s composition.
ISSN:0022-4766
1573-8779
DOI:10.1134/S0022476620060219