Algorithmic crystal chemistry: A cellular automata approach

Journal Article · Sun Jan 15 00:00:00 EST 2012 · Crystallography Reports

DOI:https://doi.org/10.1134/S1063774511060149· OSTI ID:22054204

Krivovichev, S. V., E-mail: [e-mail] ^[1]

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1. St. Petersburg State University (Russian Federation)

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).

• OSTI ID: 22054204
• Journal Information: Crystallography Reports, Vol. 57, Issue 1; Other Information: Copyright (c) 2012 Pleiades Publishing, Ltd.; Country of input: International Atomic Energy Agency (IAEA); ISSN 1063-7745
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ALGORITHMS
CRYSTAL GROWTH
CRYSTALLOGRAPHY
CRYSTALS
SELENATES