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
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
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.