Skip to main content
Log in

Molecular dynamics investigation of the helical structure of smectic C*

  • Liquid Crystals
  • Published:
Physics of the Solid State Aims and scope Submit manuscript

Abstract

The numerical simulation of the behavior of the molecules of the DOBAMBC liquid crystal by the molecular dynamics method allowed us to find the change of the the conformation of molecules as a function of temperature and to reveal the helical structures with various pitches in the smectic phase C*. These results explained the anomalous temperature dependences of the order parameter at the molecular level, as well as the optical second harmonic generation in the region of smectic A.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Similar content being viewed by others

References

  1. G. M. Zharkova and A. S. Sonin, Liquid-Crystal Composites (Nauka, Novosibirsk, 1994) [in Russian].

    Google Scholar 

  2. P. S. Drzaic, Liquid Crystal Dispersions (World Scientific, Singapore, 1995).

    Google Scholar 

  3. G. P. Crawford and S. Zumer, Liquid Crystals in Complex Geometries (Taylor and Francis, London, 1996).

    Google Scholar 

  4. Photonic Crystals and Nanocomposites: Structure Formation, Optical and Dielectric Properties, Ed. by V. F. Shabanov and V. Ya. Zyryanov (Siberian Branch of the Russian Academy of Sciences, Novosibirsk, 2009) [in Russian].

    Google Scholar 

  5. L. M. Blinov, Structure and Properties of Liquid Crystals (Springer, Dordrecht, 2011).

    Book  Google Scholar 

  6. A. Seppen, J. Phys. (Paris) 49, 1569 (1988).

    Article  Google Scholar 

  7. M. Luzar, Ferroelectrics 58 115 (1984).

    Article  Google Scholar 

  8. A. N. Vtyurin, V. P. Ermakov, B. I. Ostrovskii, and V. F. Shabanov, Preprint No. 104F, IF SO AN SSSR (Kirensky Institute of Physics, Siberian Branch of the Academy of Sciences of the USSR, Krasnoyarsk, 1979).

  9. A. N. Vtyurin, V. P. Ermakov, B. I. Ostrovsky, and V. F. Shabanov, Phys. Status Solidi B 1071, 397 (1981).

    Article  ADS  Google Scholar 

  10. A. N. Vtyurin, V. P. Ermakov, B. I. Ostrovskii, and V. F. Shabanov, Sov. Phys. Crystallogr. 26(3), 309 (1981).

    Google Scholar 

  11. M. V. Gorkunov, S. A. Pikin, and W. Haase, JETP Lett. 69(3), 243 (1999).

    Article  ADS  Google Scholar 

  12. M. Gorkunov, S. Pikin, and W. Haase, JETP Lett. 72(2), 57 (2000).

    Article  ADS  Google Scholar 

  13. S. A. Pikin, S. Hiller, and W. Haase, Mol. Cryst. Liq. Cryst. 262, 425 (1995).

    Article  Google Scholar 

  14. A. Fukuda, Y. Takanishi, T. Isozaki, K. Ishikawa, and H. Takezoe, J. Mater. Chem. 4, 997 (1994).

    Article  Google Scholar 

  15. V. A. Lykakh and E. S. Syrkin, Theor. Math. Phys. 168(2), 1048 (2011).

    Article  Google Scholar 

  16. A. V. Komolkin, A. Laaksonen, A. Maliniakb, J. Chem. Phys. 101, 4103 (1994).

    Article  ADS  Google Scholar 

  17. R. B. Meyer, L. Liebert, L. Strzelecki, and P. Keller, J. Phys. (Paris) 36, L–69 (1975).

    Article  Google Scholar 

  18. M. P. Allen and D. J. Tildesley, Computer Simulation of Liquids (Clarendon, Oxford, 1987).

    MATH  Google Scholar 

  19. D. Frenkel and B. Smit, Understanding Molecular Simulation: From Algorithms to Applications (Academic, London, 1996).

    MATH  Google Scholar 

  20. D. C. Rapaport, The Art of Molecular Dynamics Simulation (Cambridge University Press, Cambridge, 1995).

    Google Scholar 

  21. M. R. Wilson, Int. Rev. Phys. Chem. 24, 421 (2005).

    Article  Google Scholar 

  22. T. Clark, A Handbook of Computational Chemistry: A Practical Guide to Chemical Structure and Energy Calculations (Wiley, New York, 1985; Mir, Moscow, 1990).

    Google Scholar 

  23. W. D. Cornell, P. Cieplak, C. I. Bayly, I. R. Gould, K. M. Merz, D. M. Ferguson, D. C. Spellmeyer, T. Fox, J. W. Caldwell, and P. A. Kollman, J. Am. Chem. Soc. 117, 5179 (1995).

    Article  Google Scholar 

  24. N. L. Allinger, Y. H. Yuh, and J.-H. Lii, J. Am. Chem. Soc. 111, 8551 (1985).

    Article  Google Scholar 

  25. A. I. Kitaigorodskii, Molecular Crystals and Molecules (Nauka, Moscow, 1971; Academic, New York, 1973).

    Google Scholar 

  26. V. F. Shabanov, V. P. Spiridonov, and M. A. Korshunov, J. Appl. Spectrosc. 25(4), 1295 (1976).

    Article  ADS  Google Scholar 

  27. M. A. Korshunov and V. F. Shabanov, Nanotechnol. Russ. 5(1–2), 73 (2010).

    Article  Google Scholar 

  28. M. A. Korshunov, Opt. Spectrosc. 106(3), 343 (2009).

    Article  MathSciNet  ADS  Google Scholar 

  29. W. C. Swope, H. C. Andersen, P. H. Berens, and K. R. Wilson, J. Chem. Phys. 76, 637 (1982).

    Article  ADS  Google Scholar 

  30. H. J. C. Berendsen, J. P. M. Postma, W. F. van Gunsteren, A. DiNola, and J. R. Haak, J. Chem. Phys. 81, 3684 (1984).

    Article  ADS  Google Scholar 

  31. J. A. van Meel, A. Arnold, D. Frenkel, S. F. Portegies Zwart, and R. G. Belleman, Mol. Simul. 34(3), 259 (2008).

    Article  Google Scholar 

  32. W. Liu, B. Schmidt, G. Voss, and W. Muller-Wittig, Comput. Phys. Commun. 179, 634 (2008).

    Article  ADS  Google Scholar 

  33. S. Dumrongrattiana and C. C. Huang, Phys. Rev. Lett. 56(5), 464 (1986).

    Article  ADS  Google Scholar 

  34. J. K. Cha, K. W. Lee, I. H. Oh, J. H. Han, C. E. Lee, J.-I. Jin, and J. Y. Choi, J. Magn. 15, 61 (2010).

    Article  Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Corresponding author

Correspondence to M. A. Korshunov.

Additional information

Original Russian Text © M.A. Korshunov, A.V. Shabanov, 2012, published in Fizika Tverdogo Tela, 2012, Vol. 54, No. 8, pp. 1596–1599.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Korshunov, M.A., Shabanov, A.V. Molecular dynamics investigation of the helical structure of smectic C*. Phys. Solid State 54, 1704–1708 (2012). https://doi.org/10.1134/S106378341208015X

Download citation

  • Received:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1134/S106378341208015X

Keywords

Navigation