Open AccessX-ray diffraction study of structure of CaO-Al2O3-SiO2 ternary compounds in molten and crystalline states
Author(s) -
V. É. Sokol’skii,
Dmitry Pruttskov,
O.М. Yakovenko,
V. P. Kazimirov,
O.S. Roik,
N.V. Golovataya,
G. Sokolsky
Publication year - 2020
Publication title -
journal of mining and metallurgy. section b, metallurgy/journal of mining and metallurgy. section b, metallurgy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.42
H-Index - 20
eISSN - 2217-7175
pISSN - 1450-5339
DOI - 10.2298/jmmb190806016s
Subject(s) - anorthite , gehlenite , ternary operation , amorphous solid , materials science , mineralogy , diffraction , thermodynamics , reverse monte carlo , x ray crystallography , crystallography , chemistry , crystal structure , phase (matter) , optics , physics , neutron diffraction , organic chemistry , computer science , programming language
Anorthite and gehlenite crystalline structure and short-range order of anorthite melt have been studied by X-ray diffraction in the temperature range from room temperature up to ~ 1923 K. The corresponding anorthite and gehlenite phases were identified as well as amorphous component for anorthite samples having identical shape to XRD pattern of the anorthite melt. The structure factor and the radial distribution function of atoms of the anorthite melt were calculated from the X-ray high-temperature experimental data. The partial structural parameters of the short-range order of the melt were reconstructed using Reverse Monte Carlo simulations.