X-ray study and computer simulation of mechanically activated pseudowollastonite structure

Х-ray Study and Computer Simulation of the Structure of Amorphous-Crystalline Titanite

“…Previous similar studies [14] were performed for pseudowollastonite CaSiO 3 . In [14], the model of structure of a mechanically activated for 30 min.…”

“…Previous similar studies [14] were performed for pseudowollastonite CaSiO 3 . In [14], the model of structure of a mechanically activated for 30 min. pseudowollastonite was represented by a cluster consisting of four pseudowollastonite unit cells disordered as the result of molecular dynamics experiment, one unit cell of vaterite (CaCO 3 ), and one unit cell of quartz (SiO 2 ).…”

“…The methodology for processing experimental data, calculating PDF, and determining from them the coordination numbers, radii, and blurring of coordination spheres, was implemented in the software package which was designed at Department of Solid State Physics of Petrozavodsk State University [14,[17][18][19][20][21][22][23][24].…”

“…It is described in detail and implemented in studies of a number of materials, in particular [14,22,24].…”

“…The structural analysis of atoms arrangement in a short-range order region in the amorphous-crystalline titanite was provided by two approaches: wide-angle X-ray diffraction and computer simulation. In the previously published work [14], we examined the effect of mechanical activation on the structure of pseudowollastonite, which belongs to the class of ring silicates. In terms of fundamental science, present studies are of interest because titanite belongs to orthosilicates.…”