Skip to main content
SpringerLink
Log in

Compatibility of chemical elements at grain boundaries in steel

  • Physical Chemistry
  • Published:
Doklady Physical Chemistry Aims and scope Submit manuscript

Abstract

A quantum-chemical study was performed to analyze the interaction of atoms of impurity and alloying elements with the surface of grains in steel. Atoms of elements in the first five periods of the periodic table (from hydrogen to xenon) were considered. A cluster model and a two-period slab model were used. Estimates of the compatibility of elements with iron at grain boundaries in steel were made, which agree with the known experimental data and fit the periodic low. The results of this study can be used for predicting the strength properties of polycrystalline materials into which various alloying elements are added.

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. Briggs, D. and Seah, M.P., Practical Surface Analysis by Auger and X-ray Photoelectron Spectroscopy, Chichester: Wiley, 1990.

    Google Scholar 

  2. Vologzhanina, S.A., Ermakova, T.V., and Solntsev, Yu.P., Metally, 2004, no. 2, pp. 86–94.

    Google Scholar 

  3. Seah, M.P., Acta Metall., 1980, vol. 28, pp. 955–962.

    Article  CAS  Google Scholar 

  4. Painter, G.S. and Averill, F.W., Phys. Rev. Lett., 1987, vol. 58, pp. 234–237.

    Article  CAS  Google Scholar 

  5. Yang, R., Huang, R.Z., Wang, Y.M., Ye, H.Q., and Wang, C.Y., J. Phys.: Condens. Matter, 2003, vol. 15, pp. 8339–8349.

    CAS  Google Scholar 

  6. Braithwaite, J. S. and Rez, P., Acta Materialia, 2005, vol. 53, pp. 2715–2726.

    Article  CAS  Google Scholar 

  7. Gesari, S.B., Pronsato, M.E., and Juan, A., Appl. Surf. Sci., 2007, vol. 253, pp. 5939–5942.

    Article  CAS  Google Scholar 

  8. Kolesnikov, V.I., Migal’, Yu.F., Mizhiritskaya, S.N., and Doron’kin, V.N., Trenie Iznos, 2008, vol. 29, no. 2, pp. 134–143.

    CAS  Google Scholar 

  9. Kolesnikov, V.I., Kozakov, A.T., and Migal’, Yu.F., Trenie Iiznos, 2010, vol. 31, no. 1, pp. 24–37.

    CAS  Google Scholar 

  10. Migal, Yu.F., Kolesnikov, V.I., Doronkin, V.N., and Novikov, E.S., Adv. Mater. Phys. Chem., 2012, vol. 2, no. 4, pp. 201–207.

    Article  CAS  Google Scholar 

  11. Migal, Yu.F., in Anti-Abrasive Nanocoatings: Current and Future Applications, London: Woodhead, 2015, pp. 385–405.

    Google Scholar 

  12. te Velde, G., Bickelhaupt, F.M., van Gisbergen, S.J.A., Fonseca, GuerraC., Baerends, E.J., Snijders, J.G., and Ziegler, T.J., Comp. Chem., 2001, vol. 22, pp. 931–967.

    Article  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Rostov State Transport University, pl. Narodnogo opolcheniya 2, Rostov-on-Don, 344038, Russia

    Academician V. I. Kolesnikov, I. V. Kolesnikov & E. S. Novikov

  2. Southern Scientific Center, Russian Academy of Sciences, pr. Chekhova 41, Rostov-on-Don, 34400 6, Russia

    Yu. F. Migal’

Authors
  1. Academician V. I. Kolesnikov
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Yu. F. Migal’
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. I. V. Kolesnikov
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. E. S. Novikov
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to Yu. F. Migal’.

Additional information

Original Russian Text © V.I. Kolesnikov, Yu.F. Migal’, I.V. Kolesnikov, E.S. Novikov, 2015, published in Doklady Akademii Nauk, 2015, Vol. 464, No. 1, pp. 51–55.

Rights and permissions

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Kolesnikov, A.V.I., Migal’, Y.F., Kolesnikov, I.V. et al. Compatibility of chemical elements at grain boundaries in steel. Dokl Phys Chem 464, 194–197 (2015). https://doi.org/10.1134/S001250161509002X

Download citation

  • Received:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1134/S001250161509002X

Keywords

Search

Navigation