Glass Physics and Chemistry

, Volume 39, Issue 1, pp 1–10 | Cite as

Cellular automata as models of inorganic structures self-assembly (Illustrated by uranyl selenate)

  • V. Ya. Shevchenko
  • S. V. KrivovichevEmail author
  • I. G. Tananaev
  • B. F. Myasoedov


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.


cell automata self-assembly uranyl selenates structural topologies local interactions 


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  1. 1.
    Krivovichev, S.V., Actinyl Compounds with Hexavalent Elements (S, Cr, Se, Mo)—Structural Diversity, Nanoscale Chemistry, and Cellular Automata Modeling, Eur. J. Inorg. Chem., 2010, vol. 2010, pp. 2594–2603.CrossRefGoogle Scholar
  2. 2.
    Krivovichev, S.V., Kahlenberg, V., Kaindl, R., and Mersdorf, E., Self-Assembly of Protonated 1,12-Dodecanediamine Molecules and Strongly Undulated Uranyl Selenate Sheets in the Structure of Amine-Templated Uranyl Selenate: (H3O)2[C12H30N2]3[(UO2)4(SeO4)8](H2O)5, Eur. J. Inorg. Chem., 2005, vol. 2005, pp. 1653–1656.CrossRefGoogle Scholar
  3. 3.
    Krivovichev, S.V., Tananaev, I.G., Kalenberg, V., and Myasoedov, B.F., Synthesis and Crystal Structure of the First Uranyl Selenite(IV)-Selenate(VI) [C5H14N][(UO2)(SeO4)(SeO2OH)], Dokl. Phys. Chem., 2005, vol. 403,part 1, pp. 124–127.CrossRefGoogle Scholar
  4. 4.
    Krivovichev, S.V., Gurzhii, V.V., Tananaev, I.G., and Myasoedov, B.F., Topology of Inorganic Complexes as a Function of Amine Molecular Structure in Layered Uranyl Selenates, Dokl. Phys. Chem., 2006, vol. 409, part 2, pp. 228–232.CrossRefGoogle Scholar
  5. 5.
    Ling, J., Sigmon, G.E., and Burns, P.C., Syntheses, Structures, Characterizations, and Charge-Density Matching of Novel Amino-Templated Uranyl Selenates, J. Solid State Chem., 2009, vol. 182, pp. 402–408.CrossRefGoogle Scholar
  6. 6.
    Krivovichev, S.V., Gurzhiy, V.V., Tananaev, I.G., and Myasoedov, B.F., Amine-Templated Uranyl Selenates with Chiral [(UO2)2(SeO4)3(H2O)]2-Layers: Topology, Isomerism, Structural Relationships, Z. Kristallogr., 2009, vol. 224, pp. 316–324.CrossRefGoogle Scholar
  7. 7.
    Ling, J., Sigmon, G.E., Ward, M., Roback, N., and Burns, P.C., Syntheses, Structures, and IR Spectroscopic Characterization of New Uranyl Sulfate/Selenate 1D-Chain, 2D-Sheet, and 3D-Framework, Z. Kristallogr., 2010, vol. 225, pp. 230–239.CrossRefGoogle Scholar
  8. 8.
    Krivovichev, S.V., Kahlenberg, V., Kaindl, R., Mersdorf, E., Tananaev, I.G., and Myasoedov, B.F., Nanoscale Tubules in Uranyl Selenates, Angew. Chem., Int. Ed. Engl., 2005, vol. 44, pp. 1134–1136.CrossRefGoogle Scholar
  9. 9.
    Krivovichev, S.V., Kahlenberg, V., Tananaev, I.G., Kaindl, R., Mersdorf, E., and Myasoedov, B.F., Highly Porous Uranyl Selenate Nanotubules, J. Am. Chem. Soc., 2005, vol. 127, pp. 1072–1073.CrossRefGoogle Scholar
  10. 10.
    Krivovichev, S.V., Tananaev, I.G., Kalenberg, V., Kaindl’, R., and Myasoedov, B.F., Synthesis, Structure, and Properties of Inorganic Nanotubes Based on Uranyl Selenates, Radiochemistry (Moscow), 2005, vol. 47, no. 6, pp. 525–536.CrossRefGoogle Scholar
  11. 11.
    Toffoli, T. and Margolus, N., Cellular Automata Machines, Boston (Massachusetts, United States): Massachusetts Institute of Technology, 1987. Translated under the title Mashiny kletochnykh avtomatov, Moscow: Mir, 1991.Google Scholar
  12. 12.
    Ilachinski, A., Cellular Automata: A Discrete Universe, Singapore: World Scientific, 2001.Google Scholar
  13. 13.
    Wolfram, S., A New Kind of Science, Urbana (Illinois, United States): Wolfram Media, 2002.Google Scholar
  14. 14.
    Krivovichev, S.V., Structural Crystallography of Inorganic Oxysalts, Oxford (United Kingdom): Oxford University Press, 2008.Google Scholar
  15. 15.
    Krivovichev, S.V., Gurzhii, V.V., Tananaev, I.G., and Myasoedov, B.F., Microscopic Model of Crystallogenesis from Aqueous Solutions of Uranyl Selenate, Zap. Ross. Mineral. O-va, 2007, vol. 136, no. 7, pp. 91–114.Google Scholar
  16. 16.
    Sutner, K., De Bruijn Graphs and Linear Cellular Automata, Complex Syst., 1991, vol. 5, pp. 19–30.Google Scholar

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© Pleiades Publishing, Ltd. 2013

Authors and Affiliations

  • V. Ya. Shevchenko
    • 1
  • S. V. Krivovichev
    • 2
    Email author
  • I. G. Tananaev
    • 3
  • B. F. Myasoedov
    • 4
  1. 1.Institute of Silicate Chemistry of Russian Academy of SciencesSt. PetersburgRussia
  2. 2.St. Petersburg State UniversitySt. PetersburgRussia
  3. 3.Ozersk Technological InstituteChelyabinsk oblast, OzerskRussia
  4. 4.Frumkin Institute of Physical Chemistry and Electrochemistry of Russian Academy of SciencesMoscowRussia

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