Skip to main content
SpringerLink
Log in

Molecular dynamic study of the mechanism of formation of 2D carbon nanostructures in a solid Al–C nanocomposite grain

  • Physical Chemistry of Nanoclusters and Nanomaterials
  • Published:
Russian Journal of Physical Chemistry A Aims and scope Submit manuscript

Abstract

The behavior of graphene fragments in the structural fcc grains of aluminum was studied by molecular dynamics. In the course of structural relaxation, the graphene sheets united, twisted, and shifted toward the grain boundaries. The structure of the formed nanocomposite grain was studied in detail by statistical geometry. The distributions of Voronoi polyhedra according to the number of faces and of faces according to the number of sides were determined, including those after elimination of small-scale thermal fluctuations from the model. The angular distributions of the nearest geometrical neighbors were calculated, and the selfdiffusion coefficients were determined.

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. B.-H. Liu and Q.-C. Hs., Mater. Res. Innov. 18 (S3), 65 (2014).

    Google Scholar 

  2. L. A. Yolshina, R. V. Muradymov, E. G. Vovkotrub, and S. V. Smirno., Diamond Rel. Mater. 55, 1 (2015).

    Article  CAS  Google Scholar 

  3. L. A. Yolshina, R. V. Muradymov, I. V. Korsun, et al., J. Alloys Compd. 663, 449 (2016).

    Article  CAS  Google Scholar 

  4. A. E. Galashe., Tech. Phys. 59, 467 (2014).

    Article  Google Scholar 

  5. T.-H. Fang and J.-H. W., Comp. Mater. Sci. 43, 785 (2008).

    Article  CAS  Google Scholar 

  6. S. Plimpto., J. Comp. Phys. 117, 1 (1995).

    Article  Google Scholar 

  7. M. W. Finnis and J. E. Sinclai., Philos. Mag. A 50, 45 (1984).

    Article  CAS  Google Scholar 

  8. C.-F. Zhu, X.-R. Zhang, Y.-H. Wei, et al., J. Aeronaut. Mater. 23, 25 (2003).

    CAS  Google Scholar 

  9. D. W. Brenner, O. A. Shenderova, J. A. Harrison, et al., J. Phys: Condens. Matter 14, 783 (2002).

    CAS  Google Scholar 

  10. D. W. Brenne., Phys. Rev. B 42, 9458 (1990).

    Article  Google Scholar 

  11. A. E. Galashev and O. R. Rakhmanov., Phys. Usp. 57, 970 (2014).

    Article  CAS  Google Scholar 

  12. S. Xiao and W. Ho., Phys. Rev. B 73, 115406 (2006).

    Article  Google Scholar 

  13. A. N. Novruzov, O. R. Rakhmanova, O. A. Novruzova, and A. E. Galashe., Russ. J. Phys. Chem. B 2, 115 (2008).

    Google Scholar 

  14. A. Y. Galashe., Mol. Simul. 36, 273 (2010).

    Article  Google Scholar 

  15. A. E. Galashev and I. G. Mukhin., Fiz. Met. Metalloved., No. 12, 11 (1992).

    Google Scholar 

  16. V. P. Skripov and A. E. Galashe., Russ. Chem. Rev. 52, 97 (1983).

    Article  Google Scholar 

  17. D. J. Gonzalez, L. E. Gonzalez, J. M. Lopez, and M. J. Stot., Phys. Rev. B 65, 184201 (2002).

    Article  Google Scholar 

  18. A. F. Voter and S. P. Che., Mater. Res. Soc. Symp. Proc. 82, 175 (1987).

    Article  CAS  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Institute of High-Temperature Electrochemistry, Ural Branch, Russian Academy of Sciences, Yekaterinburg, 620137, Russia

    A. E. Galashev, L. A. Elshina & R. V. Muradymov

Authors
  1. A. E. Galashev
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. L. A. Elshina
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. R. V. Muradymov
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to A. E. Galashev.

Additional information

Original Russian Text © A.E. Galashev, L.A. Elshina, R.V. Muradymov, 2016, published in Zhurnal Fizicheskoi Khimii, 2016, Vol. 90, No. 12, pp. 1858–1863.

Rights and permissions

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Galashev, A.E., Elshina, L.A. & Muradymov, R.V. Molecular dynamic study of the mechanism of formation of 2D carbon nanostructures in a solid Al–C nanocomposite grain. Russ. J. Phys. Chem. 90, 2444–2448 (2016). https://doi.org/10.1134/S0036024416120116

Download citation

  • Received:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1134/S0036024416120116

Keywords

Search

Navigation