Crystallography Reports

, Volume 57, Issue 1, pp 10–17 | Cite as

Algorithmic crystal chemistry: A cellular automata approach

Theory of Crystal Structures

Abstract

Atomic-molecular mechanisms of crystal growth can be modeled based on crystallochemical information using cellular automata (a particular case of finite deterministic automata). In particular, the formation of heteropolyhedral layered complexes in uranyl selenates can be modeled applying a one-dimensional three-colored cellular automaton. The use of the theory of calculations (in particular, the theory of automata) in crystallography allows one to interpret crystal growth as a computational process (the realization of an algorithm or program with a finite number of steps).

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Copyright information

© Pleiades Publishing, Ltd. 2012

Authors and Affiliations

  1. 1.St. Petersburg State UniversitySt. PetersburgRussia
  2. 2.Department for the Study of Micro- and Nanoporous Structures, Kola Scientific CenterRussian Academy of SciencesApatity, Murmansk oblastRussia

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