Cellular Automata as Models of Inorganic Structures Self-Assembly (Illustrated by Uranyl Selenate)

摘要

The theory of cellular automata is applied to describe the self-assembly of inorganic structures on molecular and nanoscale levels based on the example of uranyl selenates. The automaton that reproduces the structural topologies observed in these compounds is constructed, and its properties are studied. It is shown that the growth of complicated structural complexes in inorganic compounds depends on the structure of the nucleus as the initial condition of automaton's work and, despite the topological differences of the resulting structures, the mechanisms of local interactions in these systems are identical. Under some conditions, this unity of mechanism leads to the formation of disordered structures.