Skip to main content
SpringerLink
Log in

Studying the possibility of predicting the supramolecular organization of disk-like mesogens by molecular dynamics simulation

  • Published:
Russian Physics Journal Aims and scope

The supramolecular structure of heptyloxy-substituted triphenylene is simulated by the molecular dynamics method using graphics device software. The radial distribution functions are obtained for various temperatures. It is established that the data of computer simulation are in good agreement with results of physical experiments.

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

Access this article

Log in via an institution

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

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  1. M. P. Alen and D. J. Tildesley, Computer Simulations of Liquids, Oxford Clarendon Press, Oxford (1991).

    Google Scholar 

  2. D. Demus, J. Gooldby, G. W. Gray, et al., Hahdbook of Liquid Crystals, Vol. 1, Willey-VCH (1998).

  3. V. V. Sotsky and N. V. Usol’tseva, Paper deposited at VINITI [in Russian], No. 1116 (2007).

  4. V. A. Ivanov, A. L. Rabinovich, and A. R. Khokhlov, eds., Methods of Computer Simulation for Investigation of Polymers and Biopolymers [in Russian], Publishing House KD Librkom (2009).

  5. E. V. Aksenova and M. S. Kshevetsy, Computational Methods of Investigation of Molecular Dynamics [in Russian], Publishing House of Saint Petersburg State University (2009).

  6. N. V. Usol’tseva, F. N. Yasinsky, V. V. Sotsky, and M. S. Kostin, Vestn. Ivanovsk. Gosud. Energ. Univ., No. 4, 45–48 (2009).

  7. I. M. Ibragimov, A. N. Kovshov, and Yu. F. Nazarov, Principles of Computer Simulation of Nanosystems: A Textbook [in Russian], Publishing House Lan’ (2010).

  8. G. Giupponi, M. J. Harvey, and G. De Fabritis, Drug. Disc. Tod., 13, 1052–1058 (2008).

    Article  Google Scholar 

  9. J. A. Anderson, C. D. Lorenz, and A. A. Travesset, J. Comput. Phys., 227, 5342–5359 (2008).

    Article  ADS  MATH  Google Scholar 

  10. A. V. Boreskov and A. A. Kharlamov, Principles of Application of the CUDA Technology [in Russian], DMK Press, Moscow (2010).

    Google Scholar 

  11. V. V. Sotsky, Zhidk. Krist. Ikh Prakt. Primen., No. 3, 77–84 (2011).

  12. Documentation on the CUDA Programming Interface, http://developer.nvidia.com/category/zone/cuda-zone.

  13. O. V. Zemtsov, Molecular parameters, synthesis, and investigation of isomorphism of polysubstituted triphenylene derivatives, Candidate’s Dissertation in Chemical Sciences, Ivanovo State University (2002).

  14. V. V. Sotsky, Certificate No. 2011613855 of Official Registration of the Computer Program “System of Molecular-Dynamic Simulation MDsimGrid” in the Federal Agency on Intellectual Property, Patents, and Trademarks, Moscow (2011).

  15. V. V. Sotsky, Certificate No. 2011613854 of Official Registration of the Computer Program “Program Module of Molecular-Dynamic Simulation MDsimGrid-GPU” in the Federal Agency on Intellectual Property, Patents, and Trademarks, Moscow (2011).

Download references

Author information

Authors and Affiliations

  1. Nanomaterials Research Institute at Ivanovo State University, Ivanovo, Russia

    D. O. Moskvin, V. V. Sotsky & N. V. Usol’tseva

Authors
  1. D. O. Moskvin
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. V. V. Sotsky
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. N. V. Usol’tseva
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to N. V. Usol’tseva.

Additional information

Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 10, pp. 38–40, October, 2012.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Moskvin, D.O., Sotsky, V.V. & Usol’tseva, N.V. Studying the possibility of predicting the supramolecular organization of disk-like mesogens by molecular dynamics simulation. Russ Phys J 55, 1143–1146 (2013). https://doi.org/10.1007/s11182-013-9935-5

Download citation

  • Received:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s11182-013-9935-5

Keywords

Search

Navigation