Numerical Simulation of Structure Transformation Processes as the Basis for Regulating the Properties of Nanodisperse Composition Systems and Materials

I. V. Kuchin and N. B. Uriev

Frumkin Institute of Physical Chemistry and Electrochemistry, Russian Academy of Sciences,
Leninskii pr. 31, Moscow, 119991 Russia

Received December 26, 2007

Abstract — Using computer simulations, the regularities of structure formation in disperse systems under dynamic conditions that predetermine the nature of the structure formed and, hence, the properties of obtained nanodisperse composition materials (materials with a nanodisperse component) are considered. Phenomena of the appearance and the development of a macroscopic structural heterogeneity, namely, the break in continuity of the structure in highly concentrated systems are reproduced, as are the conditions for the removing the break using surface active substances and vibrational impacts, which allows one to control the properties of disperse materials synthesized based on highly disperse solid phases.

PACS: 47.57.qk, 81.07.Wx