SIMULATION OF THE COOPERATIVE MOTION OF ATOMS IN SYMMETRIC SYSTEMS
D. L. Tytik
Keywords: symmetry region, computer simulation
Pages: 707-719
Abstract
Every crystallographic group has finite sets of conical sections (for planar groups) and second order surfaces (for spatial groups). A geometrical method has been suggested on this basis for modeling and studying the cooperative mobility of atoms in symmetric systems. The method was demonstrated for a 21-atomic cluster (point group T-23). It suggests the construction of a variety of regular point systems, interpreted as sequential stages of the cooperative motion of the atoms of the 21-atomic cluster with preserved inner coordinates (bond lengths and angles) in a narrow range of values.
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