ON THE AMBIGUITY OF RECONSTRUCTION OF THE STRUCTURE OF A NONCRYSTALLINE SYSTEM FROM THE KNOWN PAIR CORRELATION-FUNCTION IN THE ALGORITHMS BASED ON THE REVERSE MONTE-CARLO METHOD

Authors
Citation
Dk. Belashchenko, ON THE AMBIGUITY OF RECONSTRUCTION OF THE STRUCTURE OF A NONCRYSTALLINE SYSTEM FROM THE KNOWN PAIR CORRELATION-FUNCTION IN THE ALGORITHMS BASED ON THE REVERSE MONTE-CARLO METHOD, Crystallography reports, 43(5), 1998, pp. 733-737
Citations number
18
Categorie Soggetti
Crystallography
Journal title
ISSN journal
10637745
Volume
43
Issue
5
Year of publication
1998
Pages
733 - 737
Database
ISI
SICI code
1063-7745(1998)43:5<733:OTAORO>2.0.ZU;2-J
Abstract
The ambiguity of reconstruction of the structure of a one-component no ncrystalline system from the known structure factor is considered. Sev eral effective pair correlation (objective) functions are calculated f or a heterogeneous one-component amorphous system consisting of parts having different densities. The use of the reverse Monte Carlo method, provided the construction of rather uniform models whose pair-correla tion functions are close to objective ones. The success achieved prove s that no adequate model for a one-component noncrystalline system can be constructed by topological methods, without introducing conditions associated with the form of particle interaction.